7-cyclopentyl-1-[2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-cyclopentyl-1-[2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-cyclopentyl-1-[2-(3-fluoro-4-methoxy-phenyl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 7-cyclopentyl-1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-cyclopentyl-1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]purine-2,6-dione Traditional Name: 3-benzyl-7-cyclopentyl-1-[2-(3-fluoro-4-methoxy-phenyl)-2-keto-ethyl]xanthine Formula: C26H25FN4O4 MolecularWeight: 476.499503

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CN2C(=O)C3=C(N=CN3C4CCCC4)N(C2=O)CC5=CC=CC=C5)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CN2C(=O)C3=C(N=CN3C4CCCC4)N(C2=O)CC5=CC=CC=C5)F

InChI

InChI=1S/C26H25FN4O4/c1-35-22-12-11-18(13-20(22)27)21(32)15-30-25(33)23-24(28-16-31(23)19-9-5-6-10-19)29(26(30)34)14-17-7-3-2-4-8-17/h2-4,7-8,11-13,16,19H,5-6,9-10,14-15H2,1H3