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

Systemtic Name: 8-[5-(furan-2-yl)-3-oxidanylidene-1H-pyrazol-2-yl]-1,3-dimethyl-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione Openeye Name: 7-[(E)-cinnamyl]-8-[5-(2-furyl)-3-oxo-1H-pyrazol-2-yl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[5-(2-furanyl)-3-oxo-1H-pyrazol-2-yl]-1,3-dimethyl-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione IUPAC Name: 8-[5-(furan-2-yl)-3-oxo-1H-pyrazol-2-yl]-1,3-dimethyl-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione Traditional Name: 7-[(E)-cinnamyl]-8-[3-(2-furyl)-5-keto-3-pyrazolin-1-yl]-1,3-dimethyl-xanthine Formula: C23H20N6O4 MolecularWeight: 444.4427

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3C(=O)C=C(N3)C4=CC=CO4)CC=CC5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C23H20N6O4/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/h3-11,13-14,25H,12H2,1-2H3/b10-6+