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

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

Systemtic Name:7-(2-chlorophenyl)-3-cyclobutyl-8-piperazin-1-yl-purine-2,6-dione
Openeye Name:7-(2-chlorophenyl)-3-cyclobutyl-8-piperazin-1-yl-purine-2,6-dione
CAS Name:7-(2-chlorophenyl)-3-cyclobutyl-8-(1-piperazinyl)purine-2,6-dione
IUPAC Name:7-(2-chlorophenyl)-3-cyclobutyl-8-piperazin-1-ylpurine-2,6-dione
Traditional Name:7-(2-chlorophenyl)-3-cyclobutyl-8-piperazino-xanthine
Formula: C19H21ClN6O2
MolecularWeight: 400.86204
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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)N2C3=C(C(=O)NC2=O)N(C(=N3)N4CCNCC4)C5=CC=CC=C5Cl


Isomeric SMILES

C1CC(C1)N2C3=C(C(=O)NC2=O)N(C(=N3)N4CCNCC4)C5=CC=CC=C5Cl


InChI

InChI=1S/C19H21ClN6O2/c20-13-6-1-2-7-14(13)26-15-16(22-18(26)24-10-8-21-9-11-24)25(12-4-3-5-12)19(28)23-17(15)27/h1-2,6-7,12,21H,3-5,8-11H2,(H,23,27,28)


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