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

Systemtic Name: 5-[9-(cyclopropylmethyl)-8-(4-methylsulfonylpiperazin-1-yl)-6-morpholin-4-yl-purin-2-yl]pyrimidin-2-amine Openeye Name: 5-[9-(cyclopropylmethyl)-8-(4-methylsulfonylpiperazin-1-yl)-6-morpholino-purin-2-yl]pyrimidin-2-amine CAS Name: 5-[9-(cyclopropylmethyl)-8-(4-methylsulfonyl-1-piperazinyl)-6-(4-morpholinyl)-2-purinyl]-2-pyrimidinamine IUPAC Name: 5-[9-(cyclopropylmethyl)-8-(4-methylsulfonylpiperazin-1-yl)-6-morpholin-4-ylpurin-2-yl]pyrimidin-2-amine Traditional Name: [5-[9-(cyclopropylmethyl)-8-(4-mesylpiperazino)-6-morpholino-purin-2-yl]pyrimidin-2-yl]amine Formula: C22H30N10O3S MolecularWeight: 514.6038

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=NC3=C(N2CC4CC4)N=C(N=C3N5CCOCC5)C6=CN=C(N=C6)N

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=NC3=C(N2CC4CC4)N=C(N=C3N5CCOCC5)C6=CN=C(N=C6)N

InChI

InChI=1S/C22H30N10O3S/c1-36(33,34)31-6-4-30(5-7-31)22-26-17-19(29-8-10-35-11-9-29)27-18(16-12-24-21(23)25-13-16)28-20(17)32(22)14-15-2-3-15/h12-13,15H,2-11,14H2,1H3,(H2,23,24,25)