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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)C3=CC4=C(C=C3)OCCO4)N(C1=O)CC5=CC=CC=C5

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)C3=CC4=C(C=C3)OCCO4)N(C1=O)CC5=CC=CC=C5

InChI

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