(NE)-N-[[4-[[5-bromanyl-4-[[(2R)-3-methyl-3-oxidanyl-butan-2-yl]amino]pyrimidin-2-yl]amino]phenyl]-methyl-$l^{4}-sulfanylidene]-5-methyl-pyridine-2-sulfonamide

Systemtic Name: (NE)-N-[[4-[[5-bromanyl-4-[[(2R)-3-methyl-3-oxidanyl-butan-2-yl]amino]pyrimidin-2-yl]amino]phenyl]-methyl-$l^{4}-sulfanylidene]-5-methyl-pyridine-2-sulfonamide Openeye Name: (NE)-N-[[4-[[5-bromo-4-[[(1R)-2-hydroxy-1,2-dimethyl-propyl]amino]pyrimidin-2-yl]amino]phenyl]-methyl-$l^{4}-sulfanylidene]-5-methyl-pyridine-2-sulfonamide CAS Name: (NE)-N-[[4-[[5-bromo-4-[[(2R)-3-hydroxy-3-methylbutan-2-yl]amino]-2-pyrimidinyl]amino]phenyl]-methyl-$l^{4}-sulfanylidene]-5-methyl-2-pyridinesulfonamide IUPAC Name: (NE)-N-[[4-[[5-bromo-4-[[(2R)-3-hydroxy-3-methylbutan-2-yl]amino]pyrimidin-2-yl]amino]phenyl]-methyl-$l^{4}-sulfanylidene]-5-methylpyridine-2-sulfonamide Traditional Name: (NE)-N-[[4-[[5-bromo-4-[[(1R)-2-hydroxy-1,2-dimethyl-propyl]amino]pyrimidin-2-yl]amino]phenyl]-methyl-sulfuranylidene]-5-methyl-pyridine-2-sulfonamide Formula: C22H27BrN6O3S2 MolecularWeight: 567.52218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)S(=O)(=O)N=S(C)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NC(C)C(C)(C)O)Br

Isomeric SMILES

CC1=CN=C(C=C1)S(=O)(=O)/N=S(\C)/C2=CC=C(C=C2)NC3=NC=C(C(=N3)N[C@H](C)C(C)(C)O)Br

InChI

InChI=1S/C22H27BrN6O3S2/c1-14-6-11-19(24-12-14)34(31,32)29-33(5)17-9-7-16(8-10-17)27-21-25-13-18(23)20(28-21)26-15(2)22(3,4)30/h6-13,15,30H,1-5H3,(H2,25,26,27,28)/t15-,33?/m1/s1