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

Systemtic Name: 2-methylsulfanyl-4-propyl-N-[(3,4,5-triethoxyphenyl)methyl]pyrimidine-5-carboxamide Openeye Name: 2-methylsulfanyl-4-propyl-N-[(3,4,5-triethoxyphenyl)methyl]pyrimidine-5-carboxamide CAS Name: 2-(methylthio)-4-propyl-N-[(3,4,5-triethoxyphenyl)methyl]-5-pyrimidinecarboxamide IUPAC Name: 2-methylsulfanyl-4-propyl-N-[(3,4,5-triethoxyphenyl)methyl]pyrimidine-5-carboxamide Traditional Name: 2-(methylthio)-4-propyl-N-(3,4,5-triethoxybenzyl)pyrimidine-5-carboxamide Formula: C22H31N3O4S MolecularWeight: 433.56424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC=C1C(=O)NCC2=CC(=C(C(=C2)OCC)OCC)OCC)SC

Isomeric SMILES

CCCC1=NC(=NC=C1C(=O)NCC2=CC(=C(C(=C2)OCC)OCC)OCC)SC

InChI

InChI=1S/C22H31N3O4S/c1-6-10-17-16(14-24-22(25-17)30-5)21(26)23-13-15-11-18(27-7-2)20(29-9-4)19(12-15)28-8-3/h11-12,14H,6-10,13H2,1-5H3,(H,23,26)