methyl 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(4-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(4-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylate Openeye Name: methyl 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(4-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylate CAS Name: 2-[(4-methoxyphenyl)methylthio]-6-methyl-4-(4-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(4-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 6-methyl-4-(4-nitrophenyl)-2-(p-anisylthio)-1,4-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H21N3O5S MolecularWeight: 427.47354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N=C(N1)SCC2=CC=C(C=C2)OC)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(N=C(N1)SCC2=CC=C(C=C2)OC)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H21N3O5S/c1-13-18(20(25)29-3)19(15-6-8-16(9-7-15)24(26)27)23-21(22-13)30-12-14-4-10-17(28-2)11-5-14/h4-11,19H,12H2,1-3H3,(H,22,23)