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

Systemtic Name: 2-azanyl-7-[2-[2-(2-azanyl-6-oxidanylidene-3H-purin-7-yl)ethylamino]ethyl]-3H-purin-6-one Openeye Name: 2-amino-7-[2-[2-(2-amino-6-oxo-3H-purin-7-yl)ethylamino]ethyl]-3H-purin-6-one CAS Name: 2-amino-7-[2-[2-(2-amino-6-oxo-3H-purin-7-yl)ethylamino]ethyl]-3H-purin-6-one IUPAC Name: 2-amino-7-[2-[2-(2-amino-6-oxo-3H-purin-7-yl)ethylamino]ethyl]-3H-purin-6-one Traditional Name: 2-amino-7-[2-[2-(2-amino-6-keto-3H-purin-7-yl)ethylamino]ethyl]-3H-purin-6-one Formula: C14H17N11O2 MolecularWeight: 371.35728

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCNCCN3C=NC4=C3C(=O)N=C(N4)N)C(=O)N=C(N2)N

Isomeric SMILES

C1=NC2=C(N1CCNCCN3C=NC4=C3C(=O)N=C(N4)N)C(=O)N=C(N2)N

InChI

InChI=1S/C14H17N11O2/c15-13-20-9-7(11(26)22-13)24(5-18-9)3-1-17-2-4-25-6-19-10-8(25)12(27)23-14(16)21-10/h5-6,17H,1-4H2,(H3,15,20,22,26)(H3,16,21,23,27)