Identitet

Avanafil Metabolite M16

Nije navedeno · C23H26ClN7O5

01Identitet

Lazychem ID	LC-35560
CAS RN	Nije navedeno
PubChem CID	129012003
Molecular formula	C23H26ClN7O5
Molecular weight	515.9 g/mol
IUPAC name	4-[[4-[(3-chloro-4-methoxyphenyl)methylamino]-5-(pyrimidin-2-ylmethylcarbamoyl)pyrimidin-2-yl]amino]-5-hydroxypentanoic acid
InChIKey	PRFBRQCNRFBCHL-UHFFFAOYSA-N

02Struktura i stereokemija

Two-dimensional chemical structure of Avanafil Metabolite M16 — 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, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres	0
Ring count	3
Secondary amines	2
Tertiary amines	0

SMILES	COC1=C(C=C(C=C1)CNC2=NC(=NC=C2C(=O)NCC3=NC=CC=N3)NC(CCC(=O)O)CO)Cl
InChI	Nije navedeno

03Stereochemistry

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

Defined centres0Structure assigned

Unassigned centres1Structure unspecified

Assignment statusUnassignedExact 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.