2-[(2-chloranyl-7H-purin-6-yl)amino]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(2-chloranyl-7H-purin-6-yl)amino]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone Openeye Name: 2-[(2-chloro-7H-purin-6-yl)amino]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone CAS Name: 2-[(2-chloro-7H-purin-6-yl)amino]-1-[4-(4-fluorophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(2-chloro-7H-purin-6-yl)amino]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(2-chloro-7H-purin-6-yl)amino]-1-[4-(4-fluorophenyl)piperazino]ethanone Formula: C17H17ClFN7O MolecularWeight: 389.814583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CNC3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CNC3=NC(=NC4=C3NC=N4)Cl

InChI

InChI=1S/C17H17ClFN7O/c18-17-23-15(14-16(24-17)22-10-21-14)20-9-13(27)26-7-5-25(6-8-26)12-3-1-11(19)2-4-12/h1-4,10H,5-9H2,(H2,20,21,22,23,24)