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

Systemtic Name: 6-methyl-4-(3-nitrophenyl)-2-(phenylmethylsulfanyl)-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 2-benzylsulfanyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 6-methyl-4-(3-nitrophenyl)-2-(phenylmethylthio)-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 2-benzylsulfanyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 2-(benzylthio)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O4S/c1-12-16(18(23)24)17(14-8-5-9-15(10-14)22(25)26)21-19(20-12)27-11-13-6-3-2-4-7-13/h2-10,17H,11H2,1H3,(H,20,21)(H,23,24)