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

Systemtic Name: 7-(2-chlorophenyl)-3-(2-fluoranylpropyl)-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-(2-chlorophenyl)-3-(2-fluoropropyl)-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-(2-chlorophenyl)-3-(2-fluoropropyl)-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-(2-chlorophenyl)-3-(2-fluoropropyl)-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-(2-chlorophenyl)-3-(2-fluoropropyl)-8-piperazino-xanthine Formula: C18H20ClFN6O2 MolecularWeight: 406.841803

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClFN6O2/c1-11(20)10-25-15-14(16(27)23-18(25)28)26(13-5-3-2-4-12(13)19)17(22-15)24-8-6-21-7-9-24/h2-5,11,21H,6-10H2,1H3,(H,23,27,28)