8-(2-chlorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)-9-(oxan-4-yl)purine

Systemtic Name: 8-(2-chlorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)-9-(oxan-4-yl)purine Openeye Name: 8-(2-chlorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)-9-tetrahydropyran-4-yl-purine CAS Name: 8-(2-chlorophenyl)-2-methyl-6-(4-methyl-1-piperazinyl)-9-(4-oxanyl)purine IUPAC Name: 8-(2-chlorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)-9-(oxan-4-yl)purine Traditional Name: 8-(2-chlorophenyl)-2-methyl-6-(4-methylpiperazino)-9-tetrahydropyran-4-yl-purine Formula: C22H27ClN6O MolecularWeight: 426.94238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N3CCN(CC3)C)N=C(N2C4CCOCC4)C5=CC=CC=C5Cl

Isomeric SMILES

CC1=NC2=C(C(=N1)N3CCN(CC3)C)N=C(N2C4CCOCC4)C5=CC=CC=C5Cl

InChI

InChI=1S/C22H27ClN6O/c1-15-24-21(28-11-9-27(2)10-12-28)19-22(25-15)29(16-7-13-30-14-8-16)20(26-19)17-5-3-4-6-18(17)23/h3-6,16H,7-14H2,1-2H3