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

Systemtic Name: 6-methyl-2-(naphthalen-1-ylamino)-5-[(5-nitro-2-oxidanyl-phenyl)methyl]-1H-pyrimidin-4-one Openeye Name: 5-[(2-hydroxy-5-nitro-phenyl)methyl]-6-methyl-2-(1-naphthylamino)-1H-pyrimidin-4-one CAS Name: 5-[(2-hydroxy-5-nitrophenyl)methyl]-6-methyl-2-(1-naphthalenylamino)-1H-pyrimidin-4-one IUPAC Name: 5-[(2-hydroxy-5-nitrophenyl)methyl]-6-methyl-2-(naphthalen-1-ylamino)-1H-pyrimidin-4-one Traditional Name: 5-(2-hydroxy-5-nitro-benzyl)-6-methyl-2-(1-naphthylamino)-1H-pyrimidin-4-one Formula: C22H18N4O4 MolecularWeight: 402.40272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)NC2=CC=CC3=CC=CC=C32)CC4=C(C=CC(=C4)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)NC2=CC=CC3=CC=CC=C32)CC4=C(C=CC(=C4)[N+](=O)[O-])O

InChI

InChI=1S/C22H18N4O4/c1-13-18(12-15-11-16(26(29)30)9-10-20(15)27)21(28)25-22(23-13)24-19-8-4-6-14-5-2-3-7-17(14)19/h2-11,27H,12H2,1H3,(H2,23,24,25,28)