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

Systemtic Name: 3-[(2-chloranyl-7H-purin-6-yl)amino]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one Openeye Name: 3-[(2-chloro-7H-purin-6-yl)amino]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one CAS Name: 3-[(2-chloro-7H-purin-6-yl)amino]-1-[4-(4-fluorophenyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(2-chloro-7H-purin-6-yl)amino]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one Traditional Name: 3-[(2-chloro-7H-purin-6-yl)amino]-1-[4-(4-fluorophenyl)piperazino]propan-1-one Formula: C18H19ClFN7O MolecularWeight: 403.841163

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CCNC3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CCNC3=NC(=NC4=C3NC=N4)Cl

InChI

InChI=1S/C18H19ClFN7O/c19-18-24-16(15-17(25-18)23-11-22-15)21-6-5-14(28)27-9-7-26(8-10-27)13-3-1-12(20)2-4-13/h1-4,11H,5-10H2,(H2,21,22,23,24,25)