8-[2-(dimethylamino)-4-nitro-phenyl]purin-6-one

Systemtic Name: 8-[2-(dimethylamino)-4-nitro-phenyl]purin-6-one Openeye Name: 8-[2-(dimethylamino)-4-nitro-phenyl]purin-6-one CAS Name: 8-[2-(dimethylamino)-4-nitrophenyl]-6-purinone IUPAC Name: 8-[2-(dimethylamino)-4-nitrophenyl]purin-6-one Traditional Name: 8-[2-(dimethylamino)-4-nitro-phenyl]purin-6-one Formula: C13H10N6O3 MolecularWeight: 298.2569

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=CC(=C1)[N+](=O)[O-])C2=NC3=NC=NC(=O)C3=N2

Isomeric SMILES

CN(C)C1=C(C=CC(=C1)[N+](=O)[O-])C2=NC3=NC=NC(=O)C3=N2

InChI

InChI=1S/C13H10N6O3/c1-18(2)9-5-7(19(21)22)3-4-8(9)11-16-10-12(17-11)14-6-15-13(10)20/h3-6H,1-2H3