9-(4-methyl-3-nitro-phenyl)-3H-purin-6-one

Systemtic Name: 9-(4-methyl-3-nitro-phenyl)-3H-purin-6-one Openeye Name: 9-(4-methyl-3-nitro-phenyl)-3H-purin-6-one CAS Name: 9-(4-methyl-3-nitrophenyl)-3H-purin-6-one IUPAC Name: 9-(4-methyl-3-nitrophenyl)-3H-purin-6-one Traditional Name: 9-(4-methyl-3-nitro-phenyl)-3H-purin-6-one Formula: C12H9N5O3 MolecularWeight: 271.23156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=NC3=C2NC=NC3=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=NC3=C2NC=NC3=O)[N+](=O)[O-]

InChI

InChI=1S/C12H9N5O3/c1-7-2-3-8(4-9(7)17(19)20)16-6-15-10-11(16)13-5-14-12(10)18/h2-6H,1H3,(H,13,14,18)