3-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one Openeye Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one CAS Name: 3-[(2-chloro-7H-purin-6-yl)thio]-1-[4-(2-fluorophenyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one Traditional Name: 3-[(2-chloro-7H-purin-6-yl)thio]-1-[4-(2-fluorophenyl)piperazino]propan-1-one Formula: C18H18ClFN6OS MolecularWeight: 420.891523

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C(=O)CCSC3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C(=O)CCSC3=NC(=NC4=C3NC=N4)Cl

InChI

InChI=1S/C18H18ClFN6OS/c19-18-23-16-15(21-11-22-16)17(24-18)28-10-5-14(27)26-8-6-25(7-9-26)13-4-2-1-3-12(13)20/h1-4,11H,5-10H2,(H,21,22,23,24)