3-[6-[[4-(4-acetamidophenyl)-6-azanyl-5-cyano-pyrimidin-2-yl]sulfanylmethyl]pyridin-2-yl]-N-(2-dimethylaminoethyl)propanamide

Systemtic Name: 3-[6-[[4-(4-acetamidophenyl)-6-azanyl-5-cyano-pyrimidin-2-yl]sulfanylmethyl]pyridin-2-yl]-N-(2-dimethylaminoethyl)propanamide Openeye Name: 3-[6-[[4-(4-acetamidophenyl)-6-amino-5-cyano-pyrimidin-2-yl]sulfanylmethyl]-2-pyridyl]-N-(2-dimethylaminoethyl)propanamide CAS Name: 3-[6-[[[4-(4-acetamidophenyl)-6-amino-5-cyano-2-pyrimidinyl]thio]methyl]-2-pyridinyl]-N-(2-dimethylaminoethyl)propanamide IUPAC Name: 3-[6-[[4-(4-acetamidophenyl)-6-amino-5-cyanopyrimidin-2-yl]sulfanylmethyl]pyridin-2-yl]-N-(2-dimethylaminoethyl)propanamide Traditional Name: 3-[6-[[[4-(4-acetamidophenyl)-6-amino-5-cyano-pyrimidin-2-yl]thio]methyl]-2-pyridyl]-N-(2-dimethylaminoethyl)propionamide Formula: C26H30N8O2S MolecularWeight: 518.6338

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2=C(C(=NC(=N2)SCC3=CC=CC(=N3)CCC(=O)NCCN(C)C)N)C#N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=C(C(=NC(=N2)SCC3=CC=CC(=N3)CCC(=O)NCCN(C)C)N)C#N

InChI

InChI=1S/C26H30N8O2S/c1-17(35)30-20-9-7-18(8-10-20)24-22(15-27)25(28)33-26(32-24)37-16-21-6-4-5-19(31-21)11-12-23(36)29-13-14-34(2)3/h4-10H,11-14,16H2,1-3H3,(H,29,36)(H,30,35)(H2,28,32,33)