7-[[(2R)-oxolan-2-yl]methyl]-3-(phenylmethyl)-8-pyridin-4-yl-purine-2,6-dione

Systemtic Name: 7-[[(2R)-oxolan-2-yl]methyl]-3-(phenylmethyl)-8-pyridin-4-yl-purine-2,6-dione Openeye Name: 3-benzyl-8-(4-pyridyl)-7-[[(2R)-tetrahydrofuran-2-yl]methyl]purine-2,6-dione CAS Name: 7-[[(2R)-2-oxolanyl]methyl]-3-(phenylmethyl)-8-pyridin-4-ylpurine-2,6-dione IUPAC Name: 3-benzyl-7-[[(2R)-oxolan-2-yl]methyl]-8-pyridin-4-ylpurine-2,6-dione Traditional Name: 3-benzyl-8-(4-pyridyl)-7-[[(2R)-tetrahydrofuran-2-yl]methyl]xanthine Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C3=C(N=C2C4=CC=NC=C4)N(C(=O)NC3=O)CC5=CC=CC=C5

Isomeric SMILES

C1C[C@@H](OC1)CN2C3=C(N=C2C4=CC=NC=C4)N(C(=O)NC3=O)CC5=CC=CC=C5

InChI

InChI=1S/C22H21N5O3/c28-21-18-20(27(22(29)25-21)13-15-5-2-1-3-6-15)24-19(16-8-10-23-11-9-16)26(18)14-17-7-4-12-30-17/h1-3,5-6,8-11,17H,4,7,12-14H2,(H,25,28,29)/t17-/m1/s1