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

Systemtic Name: 7-(2-chlorophenyl)-3-(2-oxidanylpropyl)-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-(2-chlorophenyl)-3-(2-hydroxypropyl)-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-(2-chlorophenyl)-3-(2-hydroxypropyl)-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-(2-chlorophenyl)-3-(2-hydroxypropyl)-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-(2-chlorophenyl)-3-(2-hydroxypropyl)-8-piperazino-xanthine Formula: C18H21ClN6O3 MolecularWeight: 404.85074

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCNCC3)C4=CC=CC=C4Cl)O

Isomeric SMILES

CC(CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCNCC3)C4=CC=CC=C4Cl)O

InChI

InChI=1S/C18H21ClN6O3/c1-11(26)10-24-15-14(16(27)22-18(24)28)25(13-5-3-2-4-12(13)19)17(21-15)23-8-6-20-7-9-23/h2-5,11,20,26H,6-10H2,1H3,(H,22,27,28)