7-cyclopentyl-1-[2-(3-fluorophenyl)-2-oxidanylidene-ethyl]-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-cyclopentyl-1-[2-(3-fluorophenyl)-2-oxidanylidene-ethyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-cyclopentyl-1-[2-(3-fluorophenyl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 7-cyclopentyl-1-[2-(3-fluorophenyl)-2-oxoethyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-cyclopentyl-1-[2-(3-fluorophenyl)-2-oxoethyl]purine-2,6-dione Traditional Name: 3-benzyl-7-cyclopentyl-1-[2-(3-fluorophenyl)-2-keto-ethyl]xanthine Formula: C25H23FN4O3 MolecularWeight: 446.473523

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CC(=O)C5=CC(=CC=C5)F

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CC(=O)C5=CC(=CC=C5)F

InChI

InChI=1S/C25H23FN4O3/c26-19-10-6-9-18(13-19)21(31)15-29-24(32)22-23(27-16-30(22)20-11-4-5-12-20)28(25(29)33)14-17-7-2-1-3-8-17/h1-3,6-10,13,16,20H,4-5,11-12,14-15H2