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

Systemtic Name: 6-methyl-5-[(5-nitro-2-oxidanyl-phenyl)methyl]-2-(quinolin-5-ylamino)-1H-pyrimidin-4-one Openeye Name: 5-[(2-hydroxy-5-nitro-phenyl)methyl]-6-methyl-2-(5-quinolylamino)-1H-pyrimidin-4-one CAS Name: 5-[(2-hydroxy-5-nitrophenyl)methyl]-6-methyl-2-(5-quinolinylamino)-1H-pyrimidin-4-one IUPAC Name: 5-[(2-hydroxy-5-nitrophenyl)methyl]-6-methyl-2-(quinolin-5-ylamino)-1H-pyrimidin-4-one Traditional Name: 5-(2-hydroxy-5-nitro-benzyl)-6-methyl-2-(5-quinolylamino)-1H-pyrimidin-4-one Formula: C21H17N5O4 MolecularWeight: 403.39078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)NC2=CC=CC3=C2C=CC=N3)CC4=C(C=CC(=C4)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)NC2=CC=CC3=C2C=CC=N3)CC4=C(C=CC(=C4)[N+](=O)[O-])O

InChI

InChI=1S/C21H17N5O4/c1-12-16(11-13-10-14(26(29)30)7-8-19(13)27)20(28)25-21(23-12)24-18-6-2-5-17-15(18)4-3-9-22-17/h2-10,27H,11H2,1H3,(H2,23,24,25,28)