6-[2-(8-oxidanylidene-7,9-dihydropurin-6-yl)hydrazinyl]purin-8-one hydrate

Systemtic Name: 6-[2-(8-oxidanylidene-7,9-dihydropurin-6-yl)hydrazinyl]purin-8-one hydrate Openeye Name: 6-[2-(8-oxo-7,9-dihydropurin-6-yl)hydrazino]purin-8-one hydrate CAS Name: 6-[(8-oxo-7,9-dihydropurin-6-yl)hydrazo]-8-purinone hydrate IUPAC Name: 6-[2-(8-oxo-7,9-dihydropurin-6-yl)hydrazinyl]purin-8-one hydrate Traditional Name: 6-[N'-(8-keto-7,9-dihydropurin-6-yl)hydrazino]purin-8-one hydrate Formula: C10H8N10O3 MolecularWeight: 316.23572

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)NNC3=NC=NC4=NC(=O)N=C43)NC(=O)N2.O

Isomeric SMILES

C1=NC2=C(C(=N1)NNC3=NC=NC4=NC(=O)N=C43)NC(=O)N2.O

InChI

InChI=1S/C10H6N10O2.H2O/c21-9-15-3-5(17-9)11-1-13-7(3)19-20-8-4-6(12-2-14-8)18-10(22)16-4;/h1-2H,(H,11,13,17,19,21)(H3,12,14,16,18,20,22);1H2