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

Systemtic Name: 7-(2-chlorophenyl)-3-(2-fluoranylethyl)-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-(2-chlorophenyl)-3-(2-fluoroethyl)-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-(2-chlorophenyl)-3-(2-fluoroethyl)-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-(2-chlorophenyl)-3-(2-fluoroethyl)-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-(2-chlorophenyl)-3-(2-fluoroethyl)-8-piperazino-xanthine Formula: C17H18ClFN6O2 MolecularWeight: 392.815223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=C(N2C4=CC=CC=C4Cl)C(=O)NC(=O)N3CCF

Isomeric SMILES

C1CN(CCN1)C2=NC3=C(N2C4=CC=CC=C4Cl)C(=O)NC(=O)N3CCF

InChI

InChI=1S/C17H18ClFN6O2/c18-11-3-1-2-4-12(11)25-13-14(21-16(25)23-9-6-20-7-10-23)24(8-5-19)17(27)22-15(13)26/h1-4,20H,5-10H2,(H,22,26,27)