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

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(diphenylmethyl)-N-methyl-ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-benzhydryl-N-methyl-acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-(diphenylmethyl)-N-methylacetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-benzhydryl-N-methylacetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-benzhydryl-N-methyl-acetamide Formula: C21H19N5OS MolecularWeight: 389.47346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5OS/c1-26(18(27)14-28-21-24-13-17(12-22)20(23)25-21)19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,13,19H,14H2,1H3,(H2,23,24,25)