5-[9-(2-methylpropyl)-8-(4-methylsulfonylpiperazin-1-yl)-6-morpholin-4-yl-purin-2-yl]pyrimidin-2-amine

Systemtic Name: 5-[9-(2-methylpropyl)-8-(4-methylsulfonylpiperazin-1-yl)-6-morpholin-4-yl-purin-2-yl]pyrimidin-2-amine Openeye Name: 5-[9-isobutyl-8-(4-methylsulfonylpiperazin-1-yl)-6-morpholino-purin-2-yl]pyrimidin-2-amine CAS Name: 5-[9-(2-methylpropyl)-8-(4-methylsulfonyl-1-piperazinyl)-6-(4-morpholinyl)-2-purinyl]-2-pyrimidinamine IUPAC Name: 5-[9-(2-methylpropyl)-8-(4-methylsulfonylpiperazin-1-yl)-6-morpholin-4-ylpurin-2-yl]pyrimidin-2-amine Traditional Name: [5-[9-isobutyl-8-(4-mesylpiperazino)-6-morpholino-purin-2-yl]pyrimidin-2-yl]amine Formula: C22H32N10O3S MolecularWeight: 516.61968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=NC(=N2)C3=CN=C(N=C3)N)N4CCOCC4)N=C1N5CCN(CC5)S(=O)(=O)C

Isomeric SMILES

CC(C)CN1C2=C(C(=NC(=N2)C3=CN=C(N=C3)N)N4CCOCC4)N=C1N5CCN(CC5)S(=O)(=O)C

InChI

InChI=1S/C22H32N10O3S/c1-15(2)14-32-20-17(26-22(32)30-4-6-31(7-5-30)36(3,33)34)19(29-8-10-35-11-9-29)27-18(28-20)16-12-24-21(23)25-13-16/h12-13,15H,4-11,14H2,1-3H3,(H2,23,24,25)