7-cyclopentyl-1-phenacyl-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-cyclopentyl-1-phenacyl-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-cyclopentyl-1-phenacyl-purine-2,6-dione CAS Name: 7-cyclopentyl-1-phenacyl-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-cyclopentyl-1-phenacylpurine-2,6-dione Traditional Name: 3-benzyl-7-cyclopentyl-1-phenacyl-xanthine Formula: C25H24N4O3 MolecularWeight: 428.48306

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N4O3/c30-21(19-11-5-2-6-12-19)16-28-24(31)22-23(26-17-29(22)20-13-7-8-14-20)27(25(28)32)15-18-9-3-1-4-10-18/h1-6,9-12,17,20H,7-8,13-16H2