化学标识

Dimethylenastron

未列出 · C16H18N2O2S

01化学标识

Lazychem IDLC-76895
CAS RN未列出
PubChem CID11609157
Molecular formulaC16H18N2O2S
Molecular weight302.4 g/mol
IUPAC name4-(3-hydroxyphenyl)-7,7-dimethyl-2-sulfanylidene-3,4,6,8-tetrahydro-1H-quinazolin-5-one
InChIKeyRUOOPLOUUAYNPY-UHFFFAOYSA-N

02结构与立体化学

2D structurePubChem CID 11609157
Two-dimensional chemical structure of Dimethylenastron
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. These statements are calculated from the published structure string.

Defined stereocentres0
Ring count3
Secondary amines2
Tertiary amines0
SMILESCC1(CC2=C(C(NC(=S)N2)C3=CC(=CC=C3)O)C(=O)C1)C
InChI未列出

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.

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.

04印度监管状态

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

05名称与关联

原料药与母体药物

未列出

名称与关联

    杂质与相关化合物

      06来源