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

Systemtic Name: 3-(2-chlorophenyl)-1-cyclopentyl-7-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]purine-2,6-dione Openeye Name: 3-(2-chlorophenyl)-1-cyclopentyl-7-[2-(3-methoxyphenyl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 3-(2-chlorophenyl)-1-cyclopentyl-7-[2-(3-methoxyphenyl)-2-oxoethyl]purine-2,6-dione IUPAC Name: 3-(2-chlorophenyl)-1-cyclopentyl-7-[2-(3-methoxyphenyl)-2-oxoethyl]purine-2,6-dione Traditional Name: 3-(2-chlorophenyl)-1-cyclopentyl-7-[2-keto-2-(3-methoxyphenyl)ethyl]xanthine Formula: C25H23ClN4O4 MolecularWeight: 478.92752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C4=CC=CC=C4Cl)C5CCCC5

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C4=CC=CC=C4Cl)C5CCCC5

InChI

InChI=1S/C25H23ClN4O4/c1-34-18-10-6-7-16(13-18)21(31)14-28-15-27-23-22(28)24(32)29(17-8-2-3-9-17)25(33)30(23)20-12-5-4-11-19(20)26/h4-7,10-13,15,17H,2-3,8-9,14H2,1H3