6-methyl-2-[(4-methylphenyl)amino]-5-[(5-nitro-2-oxidanyl-phenyl)methyl]-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-2-[(4-methylphenyl)amino]-5-[(5-nitro-2-oxidanyl-phenyl)methyl]-1H-pyrimidin-4-one Openeye Name: 5-[(2-hydroxy-5-nitro-phenyl)methyl]-6-methyl-2-(4-methylanilino)-1H-pyrimidin-4-one CAS Name: 5-[(2-hydroxy-5-nitrophenyl)methyl]-6-methyl-2-(4-methylanilino)-1H-pyrimidin-4-one IUPAC Name: 5-[(2-hydroxy-5-nitrophenyl)methyl]-6-methyl-2-(4-methylanilino)-1H-pyrimidin-4-one Traditional Name: 5-(2-hydroxy-5-nitro-benzyl)-6-methyl-2-(p-toluidino)-1H-pyrimidin-4-one Formula: C19H18N4O4 MolecularWeight: 366.37062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=O)C(=C(N2)C)CC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=O)C(=C(N2)C)CC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C19H18N4O4/c1-11-3-5-14(6-4-11)21-19-20-12(2)16(18(25)22-19)10-13-9-15(23(26)27)7-8-17(13)24/h3-9,24H,10H2,1-2H3,(H2,20,21,22,25)