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

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

Systemtic Name:7-cyclopentyl-1-(2-phenoxyethyl)-3-(phenylmethyl)purine-2,6-dione
Openeye Name:3-benzyl-7-cyclopentyl-1-(2-phenoxyethyl)purine-2,6-dione
CAS Name:7-cyclopentyl-1-(2-phenoxyethyl)-3-(phenylmethyl)purine-2,6-dione
IUPAC Name:3-benzyl-7-cyclopentyl-1-(2-phenoxyethyl)purine-2,6-dione
Traditional Name:3-benzyl-7-cyclopentyl-1-(2-phenoxyethyl)xanthine
Formula: C25H26N4O3
MolecularWeight: 430.49894
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CCOC5=CC=CC=C5


Isomeric SMILES

C1CCC(C1)N2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CCOC5=CC=CC=C5


InChI

InChI=1S/C25H26N4O3/c30-24-22-23(26-18-29(22)20-11-7-8-12-20)28(17-19-9-3-1-4-10-19)25(31)27(24)15-16-32-21-13-5-2-6-14-21/h1-6,9-10,13-14,18,20H,7-8,11-12,15-17H2


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