8-azanyl-2-(3-nitrophenyl)purin-6-one hydrate

Systemtic Name: 8-azanyl-2-(3-nitrophenyl)purin-6-one hydrate Openeye Name: 8-amino-2-(3-nitrophenyl)purin-6-one hydrate CAS Name: 8-amino-2-(3-nitrophenyl)-6-purinone hydrate IUPAC Name: 8-amino-2-(3-nitrophenyl)purin-6-one hydrate Traditional Name: 8-amino-2-(3-nitrophenyl)purin-6-one hydrate Formula: C11H8N6O4 MolecularWeight: 288.21902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H6N6O3.H2O/c12-11-13-7-9(16-11)14-8(15-10(7)18)5-2-1-3-6(4-5)17(19)20;/h1-4H,(H2,12,14,15,16,18);1H2