2-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoyl-methyl-amino]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoyl-methyl-amino]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[[2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanylacetyl]-methyl-amino]-N-(p-tolyl)acetamide CAS Name: 2-[[2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-1-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(4-methylphenyl)acetamide Traditional Name: 2-[[2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]acetyl]-methyl-amino]-N-(p-tolyl)acetamide Formula: C17H18N6O2S MolecularWeight: 370.42882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N6O2S/c1-11-3-5-13(6-4-11)21-14(24)9-23(2)15(25)10-26-17-20-8-12(7-18)16(19)22-17/h3-6,8H,9-10H2,1-2H3,(H,21,24)(H2,19,20,22)