2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(phenylcarbamoyl)ethanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(phenylcarbamoyl)ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-(phenylcarbamoyl)acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-[anilino(oxo)methyl]acetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(phenylcarbamoyl)acetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-(phenylcarbamoyl)acetamide Formula: C14H12N6O2S MolecularWeight: 328.34908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N6O2S/c15-6-9-7-17-14(20-12(9)16)23-8-11(21)19-13(22)18-10-4-2-1-3-5-10/h1-5,7H,8H2,(H2,16,17,20)(H2,18,19,21,22)