7-cyclopentyl-3-(phenylmethyl)-8-pyridin-4-yl-purine-2,6-dione

Systemtic Name: 7-cyclopentyl-3-(phenylmethyl)-8-pyridin-4-yl-purine-2,6-dione Openeye Name: 3-benzyl-7-cyclopentyl-8-(4-pyridyl)purine-2,6-dione CAS Name: 7-cyclopentyl-3-(phenylmethyl)-8-pyridin-4-ylpurine-2,6-dione IUPAC Name: 3-benzyl-7-cyclopentyl-8-pyridin-4-ylpurine-2,6-dione Traditional Name: 3-benzyl-7-cyclopentyl-8-(4-pyridyl)xanthine Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C3=C(N=C2C4=CC=NC=C4)N(C(=O)NC3=O)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)N2C3=C(N=C2C4=CC=NC=C4)N(C(=O)NC3=O)CC5=CC=CC=C5

InChI

InChI=1S/C22H21N5O2/c28-21-18-20(26(22(29)25-21)14-15-6-2-1-3-7-15)24-19(16-10-12-23-13-11-16)27(18)17-8-4-5-9-17/h1-3,6-7,10-13,17H,4-5,8-9,14H2,(H,25,28,29)