3-(2-cyclohexylethyl)-8-cyclopentyl-7-(phenylmethyl)-1-propyl-purine-2,6-dione

Systemtic Name: 3-(2-cyclohexylethyl)-8-cyclopentyl-7-(phenylmethyl)-1-propyl-purine-2,6-dione Openeye Name: 7-benzyl-3-(2-cyclohexylethyl)-8-cyclopentyl-1-propyl-purine-2,6-dione CAS Name: 3-(2-cyclohexylethyl)-8-cyclopentyl-7-(phenylmethyl)-1-propylpurine-2,6-dione IUPAC Name: 7-benzyl-3-(2-cyclohexylethyl)-8-cyclopentyl-1-propylpurine-2,6-dione Traditional Name: 7-benzyl-3-(2-cyclohexylethyl)-8-cyclopentyl-1-propyl-xanthine Formula: C28H38N4O2 MolecularWeight: 462.62692

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C4CCCC4)N(C1=O)CCC5CCCCC5

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C4CCCC4)N(C1=O)CCC5CCCCC5

InChI

InChI=1S/C28H38N4O2/c1-2-18-31-27(33)24-26(30(28(31)34)19-17-21-11-5-3-6-12-21)29-25(23-15-9-10-16-23)32(24)20-22-13-7-4-8-14-22/h4,7-8,13-14,21,23H,2-3,5-6,9-12,15-20H2,1H3