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

Systemtic Name: 2-azanyl-6-methyl-5-[(5-nitro-2-oxidanyl-phenyl)methyl]-1H-pyrimidin-4-one Openeye Name: 2-amino-5-[(2-hydroxy-5-nitro-phenyl)methyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-amino-5-[(2-hydroxy-5-nitrophenyl)methyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-amino-5-[(2-hydroxy-5-nitrophenyl)methyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-amino-5-(2-hydroxy-5-nitro-benzyl)-6-methyl-1H-pyrimidin-4-one Formula: C12H12N4O4 MolecularWeight: 276.24808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N)CC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N)CC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C12H12N4O4/c1-6-9(11(18)15-12(13)14-6)5-7-4-8(16(19)20)2-3-10(7)17/h2-4,17H,5H2,1H3,(H3,13,14,15,18)