1-[4-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,6-dimethoxy-phenyl]-2-methylsulfonyl-ethanone

Systemtic Name: 1-[4-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,6-dimethoxy-phenyl]-2-methylsulfonyl-ethanone Openeye Name: 1-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxy-phenyl]-2-methylsulfonyl-ethanone CAS Name: 1-[4-[(2,4-diamino-5-pyrimidinyl)methyl]-2,6-dimethoxyphenyl]-2-methylsulfonylethanone IUPAC Name: 1-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenyl]-2-methylsulfonylethanone Traditional Name: 1-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxy-phenyl]-2-mesyl-ethanone Formula: C16H20N4O5S MolecularWeight: 380.4188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1C(=O)CS(=O)(=O)C)OC)CC2=CN=C(N=C2N)N

Isomeric SMILES

COC1=CC(=CC(=C1C(=O)CS(=O)(=O)C)OC)CC2=CN=C(N=C2N)N

InChI

InChI=1S/C16H20N4O5S/c1-24-12-5-9(4-10-7-19-16(18)20-15(10)17)6-13(25-2)14(12)11(21)8-26(3,22)23/h5-7H,4,8H2,1-3H3,(H4,17,18,19,20)