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

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

Systemtic Name:7-(2-chlorophenyl)-3-phenacyl-8-piperazin-1-yl-purine-2,6-dione
Openeye Name:7-(2-chlorophenyl)-3-phenacyl-8-piperazin-1-yl-purine-2,6-dione
CAS Name:7-(2-chlorophenyl)-3-phenacyl-8-(1-piperazinyl)purine-2,6-dione
IUPAC Name:7-(2-chlorophenyl)-3-phenacyl-8-piperazin-1-ylpurine-2,6-dione
Traditional Name:7-(2-chlorophenyl)-3-phenacyl-8-piperazino-xanthine
Formula: C23H21ClN6O3
MolecularWeight: 464.90424
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=C(N2C4=CC=CC=C4Cl)C(=O)NC(=O)N3CC(=O)C5=CC=CC=C5


Isomeric SMILES

C1CN(CCN1)C2=NC3=C(N2C4=CC=CC=C4Cl)C(=O)NC(=O)N3CC(=O)C5=CC=CC=C5


InChI

InChI=1S/C23H21ClN6O3/c24-16-8-4-5-9-17(16)30-19-20(26-22(30)28-12-10-25-11-13-28)29(23(33)27-21(19)32)14-18(31)15-6-2-1-3-7-15/h1-9,25H,10-14H2,(H,27,32,33)


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