2-azanyl-7-[2-[2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)ethylamino]ethyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-7-[2-[2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)ethylamino]ethyl]-3H-purin-6-one Openeye Name: 2-amino-7-[2-[2-(4-amino-2-oxo-pyrimidin-1-yl)ethylamino]ethyl]-3H-purin-6-one CAS Name: 2-amino-7-[2-[2-(4-amino-2-oxo-1-pyrimidinyl)ethylamino]ethyl]-3H-purin-6-one IUPAC Name: 2-amino-7-[2-[2-(4-amino-2-oxopyrimidin-1-yl)ethylamino]ethyl]-3H-purin-6-one Traditional Name: 2-amino-7-[2-[2-(4-amino-2-keto-pyrimidin-1-yl)ethylamino]ethyl]-3H-purin-6-one Formula: C13H17N9O2 MolecularWeight: 331.33318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=O)N=C1N)CCNCCN2C=NC3=C2C(=O)N=C(N3)N

Isomeric SMILES

C1=CN(C(=O)N=C1N)CCNCCN2C=NC3=C2C(=O)N=C(N3)N

InChI

InChI=1S/C13H17N9O2/c14-8-1-4-21(13(24)18-8)5-2-16-3-6-22-7-17-10-9(22)11(23)20-12(15)19-10/h1,4,7,16H,2-3,5-6H2,(H2,14,18,24)(H3,15,19,20,23)