2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)ethanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-(1,3-dimethyl-2-oxo-benzimidazol-5-yl)acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-(1,3-dimethyl-2-oxo-5-benzimidazolyl)acetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-(2-keto-1,3-dimethyl-benzimidazol-5-yl)acetamide Formula: C16H15N7O2S MolecularWeight: 369.401

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NC(=O)CSC3=NC=C(C(=N3)N)C#N)N(C1=O)C

Isomeric SMILES

CN1C2=C(C=C(C=C2)NC(=O)CSC3=NC=C(C(=N3)N)C#N)N(C1=O)C

InChI

InChI=1S/C16H15N7O2S/c1-22-11-4-3-10(5-12(11)23(2)16(22)25)20-13(24)8-26-15-19-7-9(6-17)14(18)21-15/h3-5,7H,8H2,1-2H3,(H,20,24)(H2,18,19,21)