1,3-dimethyl-7-[2-(6-oxidanylidene-4-pyrrolidin-1-yl-pyridazin-1-yl)ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-(6-oxidanylidene-4-pyrrolidin-1-yl-pyridazin-1-yl)ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-(6-oxo-4-pyrrolidin-1-yl-pyridazin-1-yl)ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-[6-oxo-4-(1-pyrrolidinyl)-1-pyridazinyl]ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)ethyl]purine-2,6-dione Traditional Name: 7-[2-(6-keto-4-pyrrolidino-pyridazin-1-yl)ethyl]-1,3-dimethyl-xanthine Formula: C17H21N7O3 MolecularWeight: 371.39374

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3C(=O)C=C(C=N3)N4CCCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3C(=O)C=C(C=N3)N4CCCC4

InChI

InChI=1S/C17H21N7O3/c1-20-15-14(16(26)21(2)17(20)27)23(11-18-15)7-8-24-13(25)9-12(10-19-24)22-5-3-4-6-22/h9-11H,3-8H2,1-2H3