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

Systemtic Name: 6-methyl-5-[(5-nitro-2-oxidanyl-phenyl)methyl]-2-(pyridin-2-ylamino)-1H-pyrimidin-4-one Openeye Name: 5-[(2-hydroxy-5-nitro-phenyl)methyl]-6-methyl-2-(2-pyridylamino)-1H-pyrimidin-4-one CAS Name: 5-[(2-hydroxy-5-nitrophenyl)methyl]-6-methyl-2-(2-pyridinylamino)-1H-pyrimidin-4-one IUPAC Name: 5-[(2-hydroxy-5-nitrophenyl)methyl]-6-methyl-2-(pyridin-2-ylamino)-1H-pyrimidin-4-one Traditional Name: 5-(2-hydroxy-5-nitro-benzyl)-6-methyl-2-(2-pyridylamino)-1H-pyrimidin-4-one Formula: C17H15N5O4 MolecularWeight: 353.3321

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)NC2=CC=CC=N2)CC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)NC2=CC=CC=N2)CC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C17H15N5O4/c1-10-13(9-11-8-12(22(25)26)5-6-14(11)23)16(24)21-17(19-10)20-15-4-2-3-7-18-15/h2-8,23H,9H2,1H3,(H2,18,19,20,21,24)