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

Systemtic Name: 8-cyclopentyl-7-(phenylmethyl)-3-(3-phenylpropyl)-1-propyl-purine-2,6-dione Openeye Name: 7-benzyl-8-cyclopentyl-3-(3-phenylpropyl)-1-propyl-purine-2,6-dione CAS Name: 8-cyclopentyl-7-(phenylmethyl)-3-(3-phenylpropyl)-1-propylpurine-2,6-dione IUPAC Name: 7-benzyl-8-cyclopentyl-3-(3-phenylpropyl)-1-propylpurine-2,6-dione Traditional Name: 7-benzyl-8-cyclopentyl-3-(3-phenylpropyl)-1-propyl-xanthine Formula: C29H34N4O2 MolecularWeight: 470.60586

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C4CCCC4)N(C1=O)CCCC5=CC=CC=C5

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C4CCCC4)N(C1=O)CCCC5=CC=CC=C5

InChI

InChI=1S/C29H34N4O2/c1-2-19-32-28(34)25-27(31(29(32)35)20-11-16-22-12-5-3-6-13-22)30-26(24-17-9-10-18-24)33(25)21-23-14-7-4-8-15-23/h3-8,12-15,24H,2,9-11,16-21H2,1H3