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

Systemtic Name: 8-(4-ethylphenyl)-7-[[(2R)-oxolan-2-yl]methyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-8-(4-ethylphenyl)-7-[[(2R)-tetrahydrofuran-2-yl]methyl]purine-2,6-dione CAS Name: 8-(4-ethylphenyl)-7-[[(2R)-2-oxolanyl]methyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-8-(4-ethylphenyl)-7-[[(2R)-oxolan-2-yl]methyl]purine-2,6-dione Traditional Name: 3-benzyl-8-(4-ethylphenyl)-7-[[(2R)-tetrahydrofuran-2-yl]methyl]xanthine Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=C(N2CC4CCCO4)C(=O)NC(=O)N3CC5=CC=CC=C5

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=C(N2C[C@H]4CCCO4)C(=O)NC(=O)N3CC5=CC=CC=C5

InChI

InChI=1S/C25H26N4O3/c1-2-17-10-12-19(13-11-17)22-26-23-21(28(22)16-20-9-6-14-32-20)24(30)27-25(31)29(23)15-18-7-4-3-5-8-18/h3-5,7-8,10-13,20H,2,6,9,14-16H2,1H3,(H,27,30,31)/t20-/m1/s1