1-(1,3-benzodioxol-5-ylmethyl)-7-cyclopentyl-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-7-cyclopentyl-3-(phenylmethyl)purine-2,6-dione Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-7-cyclopentyl-purine-2,6-dione CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-7-cyclopentyl-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-7-cyclopentylpurine-2,6-dione Traditional Name: 3-benzyl-7-cyclopentyl-1-piperonyl-xanthine Formula: C25H24N4O4 MolecularWeight: 444.48246

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C25H24N4O4/c30-24-22-23(26-15-29(22)19-8-4-5-9-19)27(13-17-6-2-1-3-7-17)25(31)28(24)14-18-10-11-20-21(12-18)33-16-32-20/h1-3,6-7,10-12,15,19H,4-5,8-9,13-14,16H2