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

Systemtic Name: 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(phenylmethyl)-7-propyl-purine-2,6-dione Openeye Name: 3-benzyl-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-propyl-purine-2,6-dione CAS Name: 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(phenylmethyl)-7-propylpurine-2,6-dione IUPAC Name: 3-benzyl-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-propylpurine-2,6-dione Traditional Name: 3-benzyl-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-propyl-xanthine Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1C3=CC4=C(C=C3)OCCO4)N(C(=O)NC2=O)CC5=CC=CC=C5

Isomeric SMILES

CCCN1C2=C(N=C1C3=CC4=C(C=C3)OCCO4)N(C(=O)NC2=O)CC5=CC=CC=C5

InChI

InChI=1S/C23H22N4O4/c1-2-10-26-19-21(24-20(26)16-8-9-17-18(13-16)31-12-11-30-17)27(23(29)25-22(19)28)14-15-6-4-3-5-7-15/h3-9,13H,2,10-12,14H2,1H3,(H,25,28,29)