2-methylsulfanyl-4-phenyl-N-[(3,4,5-triethoxyphenyl)methyl]pyrimidine-5-carboxamide

Systemtic Name: 2-methylsulfanyl-4-phenyl-N-[(3,4,5-triethoxyphenyl)methyl]pyrimidine-5-carboxamide Openeye Name: 2-methylsulfanyl-4-phenyl-N-[(3,4,5-triethoxyphenyl)methyl]pyrimidine-5-carboxamide CAS Name: 2-(methylthio)-4-phenyl-N-[(3,4,5-triethoxyphenyl)methyl]-5-pyrimidinecarboxamide IUPAC Name: 2-methylsulfanyl-4-phenyl-N-[(3,4,5-triethoxyphenyl)methyl]pyrimidine-5-carboxamide Traditional Name: 2-(methylthio)-4-phenyl-N-(3,4,5-triethoxybenzyl)pyrimidine-5-carboxamide Formula: C25H29N3O4S MolecularWeight: 467.58046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)CNC(=O)C2=CN=C(N=C2C3=CC=CC=C3)SC

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)CNC(=O)C2=CN=C(N=C2C3=CC=CC=C3)SC

InChI

InChI=1S/C25H29N3O4S/c1-5-30-20-13-17(14-21(31-6-2)23(20)32-7-3)15-26-24(29)19-16-27-25(33-4)28-22(19)18-11-9-8-10-12-18/h8-14,16H,5-7,15H2,1-4H3,(H,26,29)