2-[[6-(4-tert-butylphenyl)pyridin-3-yl]methyl]-6-methylsulfanyl-5-oxidanyl-N-(2-oxidanylidenepropyl)pyrimidine-4-carboxamide

Systemtic Name: 2-[[6-(4-tert-butylphenyl)pyridin-3-yl]methyl]-6-methylsulfanyl-5-oxidanyl-N-(2-oxidanylidenepropyl)pyrimidine-4-carboxamide Openeye Name: N-acetonyl-2-[[6-(4-tert-butylphenyl)-3-pyridyl]methyl]-5-hydroxy-6-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 2-[[6-(4-tert-butylphenyl)-3-pyridinyl]methyl]-5-hydroxy-6-(methylthio)-N-(2-oxopropyl)-4-pyrimidinecarboxamide IUPAC Name: 2-[[6-(4-tert-butylphenyl)pyridin-3-yl]methyl]-5-hydroxy-6-methylsulfanyl-N-(2-oxopropyl)pyrimidine-4-carboxamide Traditional Name: N-acetonyl-2-[[6-(4-tert-butylphenyl)-3-pyridyl]methyl]-5-hydroxy-6-(methylthio)pyrimidine-4-carboxamide Formula: C25H28N4O3S MolecularWeight: 464.57982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CNC(=O)C1=C(C(=NC(=N1)CC2=CN=C(C=C2)C3=CC=C(C=C3)C(C)(C)C)SC)O

Isomeric SMILES

CC(=O)CNC(=O)C1=C(C(=NC(=N1)CC2=CN=C(C=C2)C3=CC=C(C=C3)C(C)(C)C)SC)O

InChI

InChI=1S/C25H28N4O3S/c1-15(30)13-27-23(32)21-22(31)24(33-5)29-20(28-21)12-16-6-11-19(26-14-16)17-7-9-18(10-8-17)25(2,3)4/h6-11,14,31H,12-13H2,1-5H3,(H,27,32)