2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)ethanamide

Systemtic Name: 2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)ethanamide Openeye Name: 2-(4-amino-6-methyl-pyrimidin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide CAS Name: 2-[(4-amino-6-methyl-2-pyrimidinyl)thio]-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide IUPAC Name: 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide Traditional Name: 2-[(4-amino-6-methyl-pyrimidin-2-yl)thio]-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide Formula: C18H21N5OS MolecularWeight: 355.45724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5OS/c1-12-7-13(2)9-15(8-12)23(6-4-5-19)17(24)11-25-18-21-14(3)10-16(20)22-18/h7-10H,4,6,11H2,1-3H3,(H2,20,21,22)