6-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-9-(3-methylphenyl)purine

Systemtic Name: 6-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-9-(3-methylphenyl)purine Openeye Name: 6-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-9-(m-tolyl)purine CAS Name: 6-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]-9-(3-methylphenyl)purine IUPAC Name: 6-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-9-(3-methylphenyl)purine Traditional Name: 6-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]-9-(m-tolyl)purine Formula: C29H27ClN6 MolecularWeight: 495.01788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C=NC3=C2N=CN=C3N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=C(C=C6)Cl

Isomeric SMILES

CC1=CC(=CC=C1)N2C=NC3=C2N=CN=C3N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C29H27ClN6/c1-21-6-5-9-25(18-21)36-20-33-26-28(31-19-32-29(26)36)35-16-14-34(15-17-35)27(22-7-3-2-4-8-22)23-10-12-24(30)13-11-23/h2-13,18-20,27H,14-17H2,1H3