8-(2-chlorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)-9-[(3R)-oxolan-3-yl]purine

Systemtic Name: 8-(2-chlorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)-9-[(3R)-oxolan-3-yl]purine Openeye Name: 8-(2-chlorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)-9-[(3R)-tetrahydrofuran-3-yl]purine CAS Name: 8-(2-chlorophenyl)-2-methyl-6-(4-methyl-1-piperazinyl)-9-[(3R)-3-oxolanyl]purine IUPAC Name: 8-(2-chlorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)-9-[(3R)-oxolan-3-yl]purine Traditional Name: 8-(2-chlorophenyl)-2-methyl-6-(4-methylpiperazino)-9-[(3R)-tetrahydrofuran-3-yl]purine Formula: C21H25ClN6O MolecularWeight: 412.9158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N3CCN(CC3)C)N=C(N2C4CCOC4)C5=CC=CC=C5Cl

Isomeric SMILES

CC1=NC2=C(C(=N1)N3CCN(CC3)C)N=C(N2[C@@H]4CCOC4)C5=CC=CC=C5Cl

InChI

InChI=1S/C21H25ClN6O/c1-14-23-20(27-10-8-26(2)9-11-27)18-21(24-14)28(15-7-12-29-13-15)19(25-18)16-5-3-4-6-17(16)22/h3-6,15H,7-13H2,1-2H3/t15-/m1/s1