6-methyl-4-(3-nitrophenyl)-2-(phenylmethylsulfanyl)-4H-pyrimidine-3-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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