3-(furan-2-ylmethyl)-7-methyl-1,8-bis(phenylmethyl)purine-2,6-dione

Systemtic Name: 3-(furan-2-ylmethyl)-7-methyl-1,8-bis(phenylmethyl)purine-2,6-dione Openeye Name: 1,8-dibenzyl-3-(2-furylmethyl)-7-methyl-purine-2,6-dione CAS Name: 3-(2-furanylmethyl)-7-methyl-1,8-bis(phenylmethyl)purine-2,6-dione IUPAC Name: 1,8-dibenzyl-3-(furan-2-ylmethyl)-7-methylpurine-2,6-dione Traditional Name: 1,8-dibenzyl-3-(2-furfuryl)-7-methyl-xanthine Formula: C25H22N4O3 MolecularWeight: 426.46718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)N(C(=O)N2CC3=CC=CO3)CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2CC3=CC=CO3)CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C25H22N4O3/c1-27-21(15-18-9-4-2-5-10-18)26-23-22(27)24(30)29(16-19-11-6-3-7-12-19)25(31)28(23)17-20-13-8-14-32-20/h2-14H,15-17H2,1H3