8-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(3-methoxypropyl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(3-methoxypropyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(3-methoxypropyl)purine-2,6-dione CAS Name: 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(3-methoxypropyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(3-methoxypropyl)purine-2,6-dione Traditional Name: 3-benzyl-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(3-methoxypropyl)xanthine Formula: C24H24N4O5 MolecularWeight: 448.47116

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C2=C(N=C1C3=CC4=C(C=C3)OCCO4)N(C(=O)NC2=O)CC5=CC=CC=C5

Isomeric SMILES

COCCCN1C2=C(N=C1C3=CC4=C(C=C3)OCCO4)N(C(=O)NC2=O)CC5=CC=CC=C5

InChI

InChI=1S/C24H24N4O5/c1-31-11-5-10-27-20-22(25-21(27)17-8-9-18-19(14-17)33-13-12-32-18)28(24(30)26-23(20)29)15-16-6-3-2-4-7-16/h2-4,6-9,14H,5,10-13,15H2,1H3,(H,26,29,30)