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

Systemtic Name: 8-cyclopentyl-7-(phenylmethyl)-3-(3-piperidin-1-ylpropyl)-1-propyl-purine-2,6-dione Openeye Name: 7-benzyl-8-cyclopentyl-3-[3-(1-piperidyl)propyl]-1-propyl-purine-2,6-dione CAS Name: 8-cyclopentyl-7-(phenylmethyl)-3-[3-(1-piperidinyl)propyl]-1-propylpurine-2,6-dione IUPAC Name: 7-benzyl-8-cyclopentyl-3-(3-piperidin-1-ylpropyl)-1-propylpurine-2,6-dione Traditional Name: 7-benzyl-8-cyclopentyl-3-(3-piperidinopropyl)-1-propyl-xanthine Formula: C28H39N5O2 MolecularWeight: 477.64156

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C4CCCC4)N(C1=O)CCCN5CCCCC5

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C4CCCC4)N(C1=O)CCCN5CCCCC5

InChI

InChI=1S/C28H39N5O2/c1-2-16-32-27(34)24-26(31(28(32)35)20-11-19-30-17-9-4-10-18-30)29-25(23-14-7-8-15-23)33(24)21-22-12-5-3-6-13-22/h3,5-6,12-13,23H,2,4,7-11,14-21H2,1H3