5-[8-[(3R)-3-methyl-4-methylsulfonyl-piperazin-1-yl]-9-(2-methylpropyl)-6-morpholin-4-yl-purin-2-yl]pyrimidin-2-amine

Systemtic Name: 5-[8-[(3R)-3-methyl-4-methylsulfonyl-piperazin-1-yl]-9-(2-methylpropyl)-6-morpholin-4-yl-purin-2-yl]pyrimidin-2-amine Openeye Name: 5-[9-isobutyl-8-[(3R)-3-methyl-4-methylsulfonyl-piperazin-1-yl]-6-morpholino-purin-2-yl]pyrimidin-2-amine CAS Name: 5-[8-[(3R)-3-methyl-4-methylsulfonyl-1-piperazinyl]-9-(2-methylpropyl)-6-(4-morpholinyl)-2-purinyl]-2-pyrimidinamine IUPAC Name: 5-[8-[(3R)-3-methyl-4-methylsulfonylpiperazin-1-yl]-9-(2-methylpropyl)-6-morpholin-4-ylpurin-2-yl]pyrimidin-2-amine Traditional Name: [5-[9-isobutyl-8-[(3R)-4-mesyl-3-methyl-piperazino]-6-morpholino-purin-2-yl]pyrimidin-2-yl]amine Formula: C23H34N10O3S MolecularWeight: 530.64626

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C)C2=NC3=C(N2CC(C)C)N=C(N=C3N4CCOCC4)C5=CN=C(N=C5)N

Isomeric SMILES

C[C@@H]1CN(CCN1S(=O)(=O)C)C2=NC3=C(N2CC(C)C)N=C(N=C3N4CCOCC4)C5=CN=C(N=C5)N

InChI

InChI=1S/C23H34N10O3S/c1-15(2)13-32-21-18(27-23(32)31-5-6-33(16(3)14-31)37(4,34)35)20(30-7-9-36-10-8-30)28-19(29-21)17-11-25-22(24)26-12-17/h11-12,15-16H,5-10,13-14H2,1-4H3,(H2,24,25,26)/t16-/m1/s1