1,3-dimethyl-7-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]purine-2,6-dione Traditional Name: 7-[2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl]-1,3-dimethyl-xanthine Formula: C18H18N6O3 MolecularWeight: 366.37392

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCC(=N3)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C18H18N6O3/c1-21-16-15(17(26)22(2)18(21)27)23(11-19-16)10-14(25)24-9-8-13(20-24)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3