2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(3,3-diphenylpropyl)ethanamide

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(3,3-diphenylpropyl)ethanamide Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3,3-diphenylpropyl)acetamide CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-(3,3-diphenylpropyl)acetamide IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3,3-diphenylpropyl)acetamide Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-(3,3-diphenylpropyl)acetamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCNC(=O)CSC2=NC(=O)C=C(N2)N)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(CCNC(=O)CSC2=NC(=O)C=C(N2)N)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O2S/c22-18-13-19(26)25-21(24-18)28-14-20(27)23-12-11-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,13,17H,11-12,14H2,(H,23,27)(H3,22,24,25,26)