6-methyl-2-methylsulfanyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid

Systemtic Name: 6-methyl-2-methylsulfanyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 6-methyl-2-methylsulfanyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 6-methyl-2-(methylthio)-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 6-methyl-2-methylsulfanyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 6-methyl-2-(methylthio)-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid Formula: C13H13N3O4S MolecularWeight: 307.32502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N=C(N1)SC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(N=C(N1)SC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H13N3O4S/c1-7-10(12(17)18)11(15-13(14-7)21-2)8-4-3-5-9(6-8)16(19)20/h3-6,11H,1-2H3,(H,14,15)(H,17,18)