2-azanyl-7-[2-(2-azanyl-6-oxidanylidene-3H-purin-7-yl)ethyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-7-[2-(2-azanyl-6-oxidanylidene-3H-purin-7-yl)ethyl]-3H-purin-6-one Openeye Name: 2-amino-7-[2-(2-amino-6-oxo-3H-purin-7-yl)ethyl]-3H-purin-6-one CAS Name: 2-amino-7-[2-(2-amino-6-oxo-3H-purin-7-yl)ethyl]-3H-purin-6-one IUPAC Name: 2-amino-7-[2-(2-amino-6-oxo-3H-purin-7-yl)ethyl]-3H-purin-6-one Traditional Name: 2-amino-7-[2-(2-amino-6-keto-3H-purin-7-yl)ethyl]-3H-purin-6-one Formula: C12H12N10O2 MolecularWeight: 328.28948

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCN3C=NC4=C3C(=O)N=C(N4)N)C(=O)N=C(N2)N

Isomeric SMILES

C1=NC2=C(N1CCN3C=NC4=C3C(=O)N=C(N4)N)C(=O)N=C(N2)N

InChI

InChI=1S/C12H12N10O2/c13-11-17-7-5(9(23)19-11)21(3-15-7)1-2-22-4-16-8-6(22)10(24)20-12(14)18-8/h3-4H,1-2H2,(H3,13,17,19,23)(H3,14,18,20,24)