(2S)-2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)propanamide

Systemtic Name: (2S)-2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)propanamide Openeye Name: (2S)-2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide CAS Name: (2S)-2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide IUPAC Name: (2S)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide Traditional Name: (2S)-2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-(2-keto-1,3-dihydrobenzimidazol-5-yl)propionamide Formula: C15H13N7O2S MolecularWeight: 355.37442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)NC(=O)N2)SC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(C=C1)NC(=O)N2)SC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C15H13N7O2S/c1-7(25-15-18-6-8(5-16)12(17)22-15)13(23)19-9-2-3-10-11(4-9)21-14(24)20-10/h2-4,6-7H,1H3,(H,19,23)(H2,17,18,22)(H2,20,21,24)/t7-/m0/s1