7-(oxolan-2-ylmethyl)-3-(phenylmethyl)-8-propan-2-yl-purine-2,6-dione

Systemtic Name: 7-(oxolan-2-ylmethyl)-3-(phenylmethyl)-8-propan-2-yl-purine-2,6-dione Openeye Name: 3-benzyl-8-isopropyl-7-(tetrahydrofuran-2-ylmethyl)purine-2,6-dione CAS Name: 7-(2-oxolanylmethyl)-3-(phenylmethyl)-8-propan-2-ylpurine-2,6-dione IUPAC Name: 3-benzyl-7-(oxolan-2-ylmethyl)-8-propan-2-ylpurine-2,6-dione Traditional Name: 3-benzyl-8-isopropyl-7-(tetrahydrofurfuryl)xanthine Formula: C20H24N4O3 MolecularWeight: 368.42956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(N1CC3CCCO3)C(=O)NC(=O)N2CC4=CC=CC=C4

Isomeric SMILES

CC(C)C1=NC2=C(N1CC3CCCO3)C(=O)NC(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C20H24N4O3/c1-13(2)17-21-18-16(23(17)12-15-9-6-10-27-15)19(25)22-20(26)24(18)11-14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-12H2,1-2H3,(H,22,25,26)