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

Systemtic Name: 7-(2-chlorophenyl)-3-ethyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-(2-chlorophenyl)-3-ethyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-(2-chlorophenyl)-3-ethyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-(2-chlorophenyl)-3-ethyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-(2-chlorophenyl)-3-ethyl-8-piperazino-xanthine Formula: C17H19ClN6O2 MolecularWeight: 374.82476

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCNCC3)C4=CC=CC=C4Cl

Isomeric SMILES

CCN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCNCC3)C4=CC=CC=C4Cl

InChI

InChI=1S/C17H19ClN6O2/c1-2-23-14-13(15(25)21-17(23)26)24(12-6-4-3-5-11(12)18)16(20-14)22-9-7-19-8-10-22/h3-6,19H,2,7-10H2,1H3,(H,21,25,26)