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

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(3-cyanophenyl)ethanamide Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-cyanophenyl)acetamide CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-(3-cyanophenyl)acetamide IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-cyanophenyl)acetamide Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-(3-cyanophenyl)acetamide Formula: C13H11N5O2S MolecularWeight: 301.32374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CSC2=NC(=O)C=C(N2)N)C#N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CSC2=NC(=O)C=C(N2)N)C#N

InChI

InChI=1S/C13H11N5O2S/c14-6-8-2-1-3-9(4-8)16-12(20)7-21-13-17-10(15)5-11(19)18-13/h1-5H,7H2,(H,16,20)(H3,15,17,18,19)