2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-1-(3-nitrophenyl)-2,4-dihydropyrimidine-3,5-dicarboxylic acid

Systemtic Name: 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-1-(3-nitrophenyl)-2,4-dihydropyrimidine-3,5-dicarboxylic acid Openeye Name: 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-1-(3-nitrophenyl)-2,4-dihydropyrimidine-3,5-dicarboxylic acid CAS Name: 2-[(4-methoxyphenyl)methylthio]-6-methyl-1-(3-nitrophenyl)-2,4-dihydropyrimidine-3,5-dicarboxylic acid IUPAC Name: 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-1-(3-nitrophenyl)-2,4-dihydropyrimidine-3,5-dicarboxylic acid Traditional Name: 6-methyl-1-(3-nitrophenyl)-2-(p-anisylthio)-2,4-dihydropyrimidine-3,5-dicarboxylic acid Formula: C21H21N3O7S MolecularWeight: 459.47234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CN(C(N1C2=CC(=CC=C2)[N+](=O)[O-])SCC3=CC=C(C=C3)OC)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(CN(C(N1C2=CC(=CC=C2)[N+](=O)[O-])SCC3=CC=C(C=C3)OC)C(=O)O)C(=O)O

InChI

InChI=1S/C21H21N3O7S/c1-13-18(19(25)26)11-22(21(27)28)20(32-12-14-6-8-17(31-2)9-7-14)23(13)15-4-3-5-16(10-15)24(29)30/h3-10,20H,11-12H2,1-2H3,(H,25,26)(H,27,28)