2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(3-oxidanylidene-1-phenyl-butan-2-yl)ethanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(3-oxidanylidene-1-phenyl-butan-2-yl)ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-(1-benzyl-2-oxo-propyl)acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-(3-oxo-1-phenylbutan-2-yl)acetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(3-oxo-1-phenylbutan-2-yl)acetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-(1-benzyl-2-keto-propyl)acetamide Formula: C17H17N5O2S MolecularWeight: 355.41418

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)NC(=O)CSC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

CC(=O)C(CC1=CC=CC=C1)NC(=O)CSC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C17H17N5O2S/c1-11(23)14(7-12-5-3-2-4-6-12)21-15(24)10-25-17-20-9-13(8-18)16(19)22-17/h2-6,9,14H,7,10H2,1H3,(H,21,24)(H2,19,20,22)