Azonosítás

A804598

Nincs megadva · C19H17N5

01Azonosítás

Lazychem IDLC-58472
CAS RNNincs megadva
PubChem CID53325874
Molecular formulaC19H17N5
Molecular weight315.4 g/mol
IUPAC name1-cyano-2-[(1S)-1-phenylethyl]-3-quinolin-5-ylguanidine
InChIKeyPQYCRDPLPKGSME-AWEZNQCLSA-N

02Szerkezet és sztereokémia

2D structurePubChem CID 53325874
Two-dimensional chemical structure of A804598
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre. These statements are calculated from the published structure string.

Defined stereocentres1
Ring count3
Secondary amines2
Tertiary amines0
SMILESC[C@@H](C1=CC=CC=C1)N=C(NC#N)NC2=CC=CC3=C2C=CC=N3
InChINincs megadva

03Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres1Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04Indiai státusz

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Nevek és kapcsolatok

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      06Források