6-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-7H-purine

Systemtic Name: 6-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-7H-purine Openeye Name: 6-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-7H-purine CAS Name: 6-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-7H-purine IUPAC Name: 6-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-7H-purine Traditional Name: 6-[4-(5-chloro-2-methyl-phenyl)piperazino]-7H-purine Formula: C16H17ClN6 MolecularWeight: 328.79938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=NC=NC4=C3NC=N4

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=NC=NC4=C3NC=N4

InChI

InChI=1S/C16H17ClN6/c1-11-2-3-12(17)8-13(11)22-4-6-23(7-5-22)16-14-15(19-9-18-14)20-10-21-16/h2-3,8-10H,4-7H2,1H3,(H,18,19,20,21)