8-[3-(furan-2-yl)-5-oxidanylidene-4H-pyrazol-1-yl]-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione

Systemtic Name: 8-[3-(furan-2-yl)-5-oxidanylidene-4H-pyrazol-1-yl]-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 8-[3-(2-furyl)-5-oxo-4H-pyrazol-1-yl]-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 8-[3-(2-furanyl)-5-oxo-4H-pyrazol-1-yl]-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 8-[3-(furan-2-yl)-5-oxo-4H-pyrazol-1-yl]-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 8-[3-(2-furyl)-5-keto-2-pyrazolin-1-yl]-1,3-dimethyl-7-(3-phenylpropyl)xanthine Formula: C23H22N6O4 MolecularWeight: 446.45858

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3C(=O)CC(=N3)C4=CC=CO4)CCCC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3C(=O)CC(=N3)C4=CC=CO4)CCCC5=CC=CC=C5

InChI

InChI=1S/C23H22N6O4/c1-26-20-19(21(31)27(2)23(26)32)28(12-6-10-15-8-4-3-5-9-15)22(24-20)29-18(30)14-16(25-29)17-11-7-13-33-17/h3-5,7-9,11,13H,6,10,12,14H2,1-2H3