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

Systemtic Name: 9-(4-chlorophenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]purine Openeye Name: 9-(4-chlorophenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]purine CAS Name: 9-(4-chlorophenyl)-6-[4-(4-methoxyphenyl)-1-piperazinyl]purine IUPAC Name: 9-(4-chlorophenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]purine Traditional Name: 9-(4-chlorophenyl)-6-[4-(4-methoxyphenyl)piperazino]purine Formula: C22H21ClN6O MolecularWeight: 420.89474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=NC=NC4=C3N=CN4C5=CC=C(C=C5)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=NC=NC4=C3N=CN4C5=CC=C(C=C5)Cl

InChI

InChI=1S/C22H21ClN6O/c1-30-19-8-6-17(7-9-19)27-10-12-28(13-11-27)21-20-22(25-14-24-21)29(15-26-20)18-4-2-16(23)3-5-18/h2-9,14-15H,10-13H2,1H3