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

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

Systemtic Name:7-(2-chlorophenyl)-3-(phenylmethyl)-8-piperazin-1-yl-purine-2,6-dione
Openeye Name:3-benzyl-7-(2-chlorophenyl)-8-piperazin-1-yl-purine-2,6-dione
CAS Name:7-(2-chlorophenyl)-3-(phenylmethyl)-8-(1-piperazinyl)purine-2,6-dione
IUPAC Name:3-benzyl-7-(2-chlorophenyl)-8-piperazin-1-ylpurine-2,6-dione
Traditional Name:3-benzyl-7-(2-chlorophenyl)-8-piperazino-xanthine
Formula: C22H21ClN6O2
MolecularWeight: 436.89414
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=C(N2C4=CC=CC=C4Cl)C(=O)NC(=O)N3CC5=CC=CC=C5


Isomeric SMILES

C1CN(CCN1)C2=NC3=C(N2C4=CC=CC=C4Cl)C(=O)NC(=O)N3CC5=CC=CC=C5


InChI

InChI=1S/C22H21ClN6O2/c23-16-8-4-5-9-17(16)29-18-19(25-21(29)27-12-10-24-11-13-27)28(22(31)26-20(18)30)14-15-6-2-1-3-7-15/h1-9,24H,10-14H2,(H,26,30,31)


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