3-(2-methylphenyl)-1-(oxolan-2-ylmethyl)-7-propyl-purine-2,6-dione

Systemtic Name: 3-(2-methylphenyl)-1-(oxolan-2-ylmethyl)-7-propyl-purine-2,6-dione Openeye Name: 3-(o-tolyl)-7-propyl-1-(tetrahydrofuran-2-ylmethyl)purine-2,6-dione CAS Name: 3-(2-methylphenyl)-1-(2-oxolanylmethyl)-7-propylpurine-2,6-dione IUPAC Name: 3-(2-methylphenyl)-1-(oxolan-2-ylmethyl)-7-propylpurine-2,6-dione Traditional Name: 3-(o-tolyl)-7-propyl-1-(tetrahydrofurfuryl)xanthine Formula: C20H24N4O3 MolecularWeight: 368.42956

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1C(=O)N(C(=O)N2C3=CC=CC=C3C)CC4CCCO4

Isomeric SMILES

CCCN1C=NC2=C1C(=O)N(C(=O)N2C3=CC=CC=C3C)CC4CCCO4

InChI

InChI=1S/C20H24N4O3/c1-3-10-22-13-21-18-17(22)19(25)23(12-15-8-6-11-27-15)20(26)24(18)16-9-5-4-7-14(16)2/h4-5,7,9,13,15H,3,6,8,10-12H2,1-2H3