6-(4-methylphenyl)-1-(4-methylsulfanylphenyl)-3-[(4-nitrophenyl)methyl]pyrimidine-2,4-dione

Systemtic Name: 6-(4-methylphenyl)-1-(4-methylsulfanylphenyl)-3-[(4-nitrophenyl)methyl]pyrimidine-2,4-dione Openeye Name: 1-(4-methylsulfanylphenyl)-3-[(4-nitrophenyl)methyl]-6-(p-tolyl)pyrimidine-2,4-dione CAS Name: 6-(4-methylphenyl)-1-[4-(methylthio)phenyl]-3-[(4-nitrophenyl)methyl]pyrimidine-2,4-dione IUPAC Name: 6-(4-methylphenyl)-1-(4-methylsulfanylphenyl)-3-[(4-nitrophenyl)methyl]pyrimidine-2,4-dione Traditional Name: 1-[4-(methylthio)phenyl]-3-(4-nitrobenzyl)-6-(p-tolyl)pyrimidine-2,4-quinone Formula: C25H21N3O4S MolecularWeight: 459.51694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=O)N(C(=O)N2C3=CC=C(C=C3)SC)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=O)N(C(=O)N2C3=CC=C(C=C3)SC)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H21N3O4S/c1-17-3-7-19(8-4-17)23-15-24(29)26(16-18-5-9-21(10-6-18)28(31)32)25(30)27(23)20-11-13-22(33-2)14-12-20/h3-15H,16H2,1-2H3