4-methyl-2-methylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]pyrimidine-5-carboxamide

Systemtic Name: 4-methyl-2-methylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]pyrimidine-5-carboxamide Openeye Name: N-[(4-isopropoxyphenyl)methyl]-4-methyl-2-methylsulfanyl-pyrimidine-5-carboxamide CAS Name: 4-methyl-2-(methylthio)-N-[(4-propan-2-yloxyphenyl)methyl]-5-pyrimidinecarboxamide IUPAC Name: 4-methyl-2-methylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]pyrimidine-5-carboxamide Traditional Name: N-(4-isopropoxybenzyl)-4-methyl-2-(methylthio)pyrimidine-5-carboxamide Formula: C17H21N3O2S MolecularWeight: 331.43254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(=O)NCC2=CC=C(C=C2)OC(C)C)SC

Isomeric SMILES

CC1=NC(=NC=C1C(=O)NCC2=CC=C(C=C2)OC(C)C)SC

InChI

InChI=1S/C17H21N3O2S/c1-11(2)22-14-7-5-13(6-8-14)9-18-16(21)15-10-19-17(23-4)20-12(15)3/h5-8,10-11H,9H2,1-4H3,(H,18,21)