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

Systemtic Name: 2-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoyl-propyl-amino]-N-(2-methylphenyl)ethanamide Openeye Name: 2-[[2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanylacetyl]-propyl-amino]-N-(o-tolyl)acetamide CAS Name: 2-[[2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-1-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide IUPAC Name: 2-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]-propylamino]-N-(2-methylphenyl)acetamide Traditional Name: 2-[[2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]acetyl]-propyl-amino]-N-(o-tolyl)acetamide Formula: C19H22N6O2S MolecularWeight: 398.48198

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)CSC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)CSC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C19H22N6O2S/c1-3-8-25(11-16(26)23-15-7-5-4-6-13(15)2)17(27)12-28-19-22-10-14(9-20)18(21)24-19/h4-7,10H,3,8,11-12H2,1-2H3,(H,23,26)(H2,21,22,24)