1-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-7-butyl-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-7-butyl-3-(phenylmethyl)purine-2,6-dione Openeye Name: 1-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]-3-benzyl-7-butyl-purine-2,6-dione CAS Name: 1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-7-butyl-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-benzyl-7-butylpurine-2,6-dione Traditional Name: 1-[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]-3-benzyl-7-butyl-xanthine Formula: C25H24N4O5 MolecularWeight: 460.48186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H24N4O5/c1-2-3-11-27-15-26-23-22(27)24(31)29(25(32)28(23)13-17-7-5-4-6-8-17)14-19(30)18-9-10-20-21(12-18)34-16-33-20/h4-10,12,15H,2-3,11,13-14,16H2,1H3