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

Systemtic Name: 3-[6-[[4-(4-acetamidophenyl)-6-azanyl-5-cyano-pyrimidin-2-yl]sulfanylmethyl]pyridin-2-yl]-N-(2-diethylaminoethyl)propanamide Openeye Name: 3-[6-[[4-(4-acetamidophenyl)-6-amino-5-cyano-pyrimidin-2-yl]sulfanylmethyl]-2-pyridyl]-N-(2-diethylaminoethyl)propanamide CAS Name: 3-[6-[[[4-(4-acetamidophenyl)-6-amino-5-cyano-2-pyrimidinyl]thio]methyl]-2-pyridinyl]-N-(2-diethylaminoethyl)propanamide IUPAC Name: 3-[6-[[4-(4-acetamidophenyl)-6-amino-5-cyanopyrimidin-2-yl]sulfanylmethyl]pyridin-2-yl]-N-(2-diethylaminoethyl)propanamide Traditional Name: 3-[6-[[[4-(4-acetamidophenyl)-6-amino-5-cyano-pyrimidin-2-yl]thio]methyl]-2-pyridyl]-N-(2-diethylaminoethyl)propionamide Formula: C28H34N8O2S MolecularWeight: 546.68696

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)CCC1=NC(=CC=C1)CSC2=NC(=C(C(=N2)N)C#N)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CCN(CC)CCNC(=O)CCC1=NC(=CC=C1)CSC2=NC(=C(C(=N2)N)C#N)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C28H34N8O2S/c1-4-36(5-2)16-15-31-25(38)14-13-21-7-6-8-23(33-21)18-39-28-34-26(24(17-29)27(30)35-28)20-9-11-22(12-10-20)32-19(3)37/h6-12H,4-5,13-16,18H2,1-3H3,(H,31,38)(H,32,37)(H2,30,34,35)