1,3-dimethyl-7-[2-[(6-oxidanylidene-1H-pyridazin-3-yl)amino]ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-[(6-oxidanylidene-1H-pyridazin-3-yl)amino]ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-[(6-oxo-1H-pyridazin-3-yl)amino]ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-[(6-oxo-1H-pyridazin-3-yl)amino]ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-[(6-oxo-1H-pyridazin-3-yl)amino]ethyl]purine-2,6-dione Traditional Name: 7-[2-[(6-keto-1H-pyridazin-3-yl)amino]ethyl]-1,3-dimethyl-xanthine Formula: C13H15N7O3 MolecularWeight: 317.3033

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNC3=NNC(=O)C=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNC3=NNC(=O)C=C3

InChI

InChI=1S/C13H15N7O3/c1-18-11-10(12(22)19(2)13(18)23)20(7-15-11)6-5-14-8-3-4-9(21)17-16-8/h3-4,7H,5-6H2,1-2H3,(H,14,16)(H,17,21)