3-[6-[[4-(4-acetamidophenyl)-6-azanyl-5-cyano-pyrimidin-2-yl]sulfanylmethyl]pyridin-2-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide

Systemtic Name: 3-[6-[[4-(4-acetamidophenyl)-6-azanyl-5-cyano-pyrimidin-2-yl]sulfanylmethyl]pyridin-2-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide Openeye Name: 3-[6-[[4-(4-acetamidophenyl)-6-amino-5-cyano-pyrimidin-2-yl]sulfanylmethyl]-2-pyridyl]-N-methyl-N-(1-methyl-4-piperidyl)propanamide CAS Name: 3-[6-[[[4-(4-acetamidophenyl)-6-amino-5-cyano-2-pyrimidinyl]thio]methyl]-2-pyridinyl]-N-methyl-N-(1-methyl-4-piperidinyl)propanamide IUPAC Name: 3-[6-[[4-(4-acetamidophenyl)-6-amino-5-cyanopyrimidin-2-yl]sulfanylmethyl]pyridin-2-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide Traditional Name: 3-[6-[[[4-(4-acetamidophenyl)-6-amino-5-cyano-pyrimidin-2-yl]thio]methyl]-2-pyridyl]-N-methyl-N-(1-methyl-4-piperidyl)propionamide Formula: C29H34N8O2S MolecularWeight: 558.69766

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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)N(C)C4CCN(CC4)C)N)C#N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=C(C(=NC(=N2)SCC3=CC=CC(=N3)CCC(=O)N(C)C4CCN(CC4)C)N)C#N

InChI

InChI=1S/C29H34N8O2S/c1-19(38)32-22-9-7-20(8-10-22)27-25(17-30)28(31)35-29(34-27)40-18-23-6-4-5-21(33-23)11-12-26(39)37(3)24-13-15-36(2)16-14-24/h4-10,24H,11-16,18H2,1-3H3,(H,32,38)(H2,31,34,35)