5-[9-[(4-methylsulfonylphenyl)methyl]-6-morpholin-4-yl-purin-2-yl]pyrimidin-2-amine

Systemtic Name: 5-[9-[(4-methylsulfonylphenyl)methyl]-6-morpholin-4-yl-purin-2-yl]pyrimidin-2-amine Openeye Name: 5-[9-[(4-methylsulfonylphenyl)methyl]-6-morpholino-purin-2-yl]pyrimidin-2-amine CAS Name: 5-[9-[(4-methylsulfonylphenyl)methyl]-6-(4-morpholinyl)-2-purinyl]-2-pyrimidinamine IUPAC Name: 5-[9-[(4-methylsulfonylphenyl)methyl]-6-morpholin-4-ylpurin-2-yl]pyrimidin-2-amine Traditional Name: [5-[9-(4-mesylbenzyl)-6-morpholino-purin-2-yl]pyrimidin-2-yl]amine Formula: C21H22N8O3S MolecularWeight: 466.51618

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3N4CCOCC4)C5=CN=C(N=C5)N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3N4CCOCC4)C5=CN=C(N=C5)N

InChI

InChI=1S/C21H22N8O3S/c1-33(30,31)16-4-2-14(3-5-16)12-29-13-25-17-19(28-6-8-32-9-7-28)26-18(27-20(17)29)15-10-23-21(22)24-11-15/h2-5,10-11,13H,6-9,12H2,1H3,(H2,22,23,24)