3-(1,3-benzodioxol-5-yl)-7-(2-chlorophenyl)-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-7-(2-chlorophenyl)-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 3-(1,3-benzodioxol-5-yl)-7-(2-chlorophenyl)-8-piperazin-1-yl-purine-2,6-dione CAS Name: 3-(1,3-benzodioxol-5-yl)-7-(2-chlorophenyl)-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 3-(1,3-benzodioxol-5-yl)-7-(2-chlorophenyl)-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 3-(1,3-benzodioxol-5-yl)-7-(2-chlorophenyl)-8-piperazino-xanthine Formula: C22H19ClN6O4 MolecularWeight: 466.87706

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=C(N2C4=CC=CC=C4Cl)C(=O)NC(=O)N3C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CCN1)C2=NC3=C(N2C4=CC=CC=C4Cl)C(=O)NC(=O)N3C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C22H19ClN6O4/c23-14-3-1-2-4-15(14)29-18-19(25-21(29)27-9-7-24-8-10-27)28(22(31)26-20(18)30)13-5-6-16-17(11-13)33-12-32-16/h1-6,11,24H,7-10,12H2,(H,26,30,31)