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

Systemtic Name: 8-cyclopentyl-7-(phenylmethyl)-1-propyl-3-(3-pyridin-3-ylpropyl)purine-2,6-dione Openeye Name: 7-benzyl-8-cyclopentyl-1-propyl-3-[3-(3-pyridyl)propyl]purine-2,6-dione CAS Name: 8-cyclopentyl-7-(phenylmethyl)-1-propyl-3-[3-(3-pyridinyl)propyl]purine-2,6-dione IUPAC Name: 7-benzyl-8-cyclopentyl-1-propyl-3-(3-pyridin-3-ylpropyl)purine-2,6-dione Traditional Name: 7-benzyl-8-cyclopentyl-1-propyl-3-[3-(3-pyridyl)propyl]xanthine Formula: C28H33N5O2 MolecularWeight: 471.59392

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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=CN=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C28H33N5O2/c1-2-17-32-27(34)24-26(31(28(32)35)18-9-13-21-12-8-16-29-19-21)30-25(23-14-6-7-15-23)33(24)20-22-10-4-3-5-11-22/h3-5,8,10-12,16,19,23H,2,6-7,9,13-15,17-18,20H2,1H3