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

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(1,3-diethyl-2-oxidanylidene-benzimidazol-5-yl)ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-(1,3-diethyl-2-oxo-benzimidazol-5-yl)acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-(1,3-diethyl-2-oxo-5-benzimidazolyl)acetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(1,3-diethyl-2-oxobenzimidazol-5-yl)acetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-(1,3-diethyl-2-keto-benzimidazol-5-yl)acetamide Formula: C18H19N7O2S MolecularWeight: 397.45416

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)CSC3=NC=C(C(=N3)N)C#N)N(C1=O)CC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)CSC3=NC=C(C(=N3)N)C#N)N(C1=O)CC

InChI

InChI=1S/C18H19N7O2S/c1-3-24-13-6-5-12(7-14(13)25(4-2)18(24)27)22-15(26)10-28-17-21-9-11(8-19)16(20)23-17/h5-7,9H,3-4,10H2,1-2H3,(H,22,26)(H2,20,21,23)