1-[[(2R)-oxan-2-yl]methyl]-3,7-bis(phenylmethyl)purine-2,6-dione

Systemtic Name: 1-[[(2R)-oxan-2-yl]methyl]-3,7-bis(phenylmethyl)purine-2,6-dione Openeye Name: 3,7-dibenzyl-1-[[(2R)-tetrahydropyran-2-yl]methyl]purine-2,6-dione CAS Name: 1-[[(2R)-2-oxanyl]methyl]-3,7-bis(phenylmethyl)purine-2,6-dione IUPAC Name: 3,7-dibenzyl-1-[[(2R)-oxan-2-yl]methyl]purine-2,6-dione Traditional Name: 3,7-dibenzyl-1-[[(2R)-tetrahydropyran-2-yl]methyl]xanthine Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CN2C(=O)C3=C(N=CN3CC4=CC=CC=C4)N(C2=O)CC5=CC=CC=C5

Isomeric SMILES

C1CCO[C@H](C1)CN2C(=O)C3=C(N=CN3CC4=CC=CC=C4)N(C2=O)CC5=CC=CC=C5

InChI

InChI=1S/C25H26N4O3/c30-24-22-23(26-18-27(22)15-19-9-3-1-4-10-19)28(16-20-11-5-2-6-12-20)25(31)29(24)17-21-13-7-8-14-32-21/h1-6,9-12,18,21H,7-8,13-17H2/t21-/m1/s1