8-(2-aminophenyl)purin-6-one hydrate

Systemtic Name: 8-(2-aminophenyl)purin-6-one hydrate Openeye Name: 8-(2-aminophenyl)purin-6-one hydrate CAS Name: 8-(2-aminophenyl)-6-purinone hydrate IUPAC Name: 8-(2-aminophenyl)purin-6-one hydrate Traditional Name: 8-(2-aminophenyl)purin-6-one hydrate Formula: C11H9N5O2 MolecularWeight: 243.22146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=NC=NC(=O)C3=N2)N.O

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=NC=NC(=O)C3=N2)N.O

InChI

InChI=1S/C11H7N5O.H2O/c12-7-4-2-1-3-6(7)9-15-8-10(16-9)13-5-14-11(8)17;/h1-5H,12H2;1H2