Identidade

Dimethylenastron

Não indicado · C16H18N2O2S

01Identidade

Lazychem ID	LC-76895
CAS RN	Não indicado
PubChem CID	11609157
Molecular formula	C16H18N2O2S
Molecular weight	302.4 g/mol
IUPAC name	4-(3-hydroxyphenyl)-7,7-dimethyl-2-sulfanylidene-3,4,6,8-tetrahydro-1H-quinazolin-5-one
InChIKey	RUOOPLOUUAYNPY-UHFFFAOYSA-N

02Estrutura e estereoquímica

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 stereocentres	0
Ring count	3
Secondary amines	2
Tertiary amines	0

SMILES	CC1(CC2=C(C(NC(=S)N2)C3=CC(=CC=C3)O)C(=O)C1)C
InChI	Não indicado

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.