6-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylphenyl]-1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione

Systemtic Name: 6-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylphenyl]-1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione Openeye Name: 6-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylphenyl]-1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione CAS Name: 6-[4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl]phenyl]-1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione IUPAC Name: 6-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylphenyl]-1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-6-[4-(4-piperonylpiperazino)sulfonylphenyl]-5H-pyrrolo[3,2-d]pyrimidine-2,4-quinone Formula: C26H27N5O6S MolecularWeight: 537.58748

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=C2)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=C2)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C26H27N5O6S/c1-28-21-14-20(27-24(21)25(32)29(2)26(28)33)18-4-6-19(7-5-18)38(34,35)31-11-9-30(10-12-31)15-17-3-8-22-23(13-17)37-16-36-22/h3-8,13-14,27H,9-12,15-16H2,1-2H3