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

Systemtic Name: 8-cyclopentyl-7-(phenylmethyl)-1-propyl-3-(2-pyridin-2-ylethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-cyclopentyl-1-propyl-3-[2-(2-pyridyl)ethyl]purine-2,6-dione CAS Name: 8-cyclopentyl-7-(phenylmethyl)-1-propyl-3-[2-(2-pyridinyl)ethyl]purine-2,6-dione IUPAC Name: 7-benzyl-8-cyclopentyl-1-propyl-3-(2-pyridin-2-ylethyl)purine-2,6-dione Traditional Name: 7-benzyl-8-cyclopentyl-1-propyl-3-[2-(2-pyridyl)ethyl]xanthine Formula: C27H31N5O2 MolecularWeight: 457.56734

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C4CCCC4)N(C1=O)CCC5=CC=CC=N5

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C4CCCC4)N(C1=O)CCC5=CC=CC=N5

InChI

InChI=1S/C27H31N5O2/c1-2-17-31-26(33)23-25(30(27(31)34)18-15-22-14-8-9-16-28-22)29-24(21-12-6-7-13-21)32(23)19-20-10-4-3-5-11-20/h3-5,8-11,14,16,21H,2,6-7,12-13,15,17-19H2,1H3