4-[(4-methoxyphenyl)methylsulfanyl]-2-methyl-6-(3-nitrophenyl)-2,3-dihydro-1H-pyrimidine-4-carboxylic acid

Systemtic Name: 4-[(4-methoxyphenyl)methylsulfanyl]-2-methyl-6-(3-nitrophenyl)-2,3-dihydro-1H-pyrimidine-4-carboxylic acid Openeye Name: 4-[(4-methoxyphenyl)methylsulfanyl]-2-methyl-6-(3-nitrophenyl)-2,3-dihydro-1H-pyrimidine-4-carboxylic acid CAS Name: 4-[(4-methoxyphenyl)methylthio]-2-methyl-6-(3-nitrophenyl)-2,3-dihydro-1H-pyrimidine-4-carboxylic acid IUPAC Name: 4-[(4-methoxyphenyl)methylsulfanyl]-2-methyl-6-(3-nitrophenyl)-2,3-dihydro-1H-pyrimidine-4-carboxylic acid Traditional Name: 2-methyl-6-(3-nitrophenyl)-4-(p-anisylthio)-2,3-dihydro-1H-pyrimidine-4-carboxylic acid Formula: C20H21N3O5S MolecularWeight: 415.46284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1NC(=CC(N1)(C(=O)O)SCC2=CC=C(C=C2)OC)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1NC(=CC(N1)(C(=O)O)SCC2=CC=C(C=C2)OC)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5S/c1-13-21-18(15-4-3-5-16(10-15)23(26)27)11-20(22-13,19(24)25)29-12-14-6-8-17(28-2)9-7-14/h3-11,13,21-22H,12H2,1-2H3,(H,24,25)