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

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

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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)8-5-3-4-6-9(8)16(19)20/h3-6,11H,1-2H3,(H,14,15)(H,17,18)