6-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-9-(4-methoxyphenyl)purine

Systemtic Name: 6-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-9-(4-methoxyphenyl)purine Openeye Name: 6-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-9-(4-methoxyphenyl)purine CAS Name: 6-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]-9-(4-methoxyphenyl)purine IUPAC Name: 6-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-9-(4-methoxyphenyl)purine Traditional Name: 6-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]-9-(4-methoxyphenyl)purine Formula: C29H27ClN6O MolecularWeight: 511.01728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=NC3=C2N=CN=C3N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=C(C=C6)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2C=NC3=C2N=CN=C3N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C29H27ClN6O/c1-37-25-13-11-24(12-14-25)36-20-33-26-28(31-19-32-29(26)36)35-17-15-34(16-18-35)27(21-5-3-2-4-6-21)22-7-9-23(30)10-8-22/h2-14,19-20,27H,15-18H2,1H3