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

Systemtic Name: 7-(2-chlorophenyl)-3-(cyclobutylmethyl)-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-(2-chlorophenyl)-3-(cyclobutylmethyl)-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-(2-chlorophenyl)-3-(cyclobutylmethyl)-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-(2-chlorophenyl)-3-(cyclobutylmethyl)-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-(2-chlorophenyl)-3-(cyclobutylmethyl)-8-piperazino-xanthine Formula: C20H23ClN6O2 MolecularWeight: 414.88862

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)CN2C3=C(C(=O)NC2=O)N(C(=N3)N4CCNCC4)C5=CC=CC=C5Cl

Isomeric SMILES

C1CC(C1)CN2C3=C(C(=O)NC2=O)N(C(=N3)N4CCNCC4)C5=CC=CC=C5Cl

InChI

InChI=1S/C20H23ClN6O2/c21-14-6-1-2-7-15(14)27-16-17(23-19(27)25-10-8-22-9-11-25)26(12-13-4-3-5-13)20(29)24-18(16)28/h1-2,6-7,13,22H,3-5,8-12H2,(H,24,28,29)