1-[4-[[5-iodanyl-4-[[(2R)-3-methyl-1-oxidanyl-butan-2-yl]amino]pyrimidin-2-yl]amino]phenyl]ethanone

Systemtic Name: 1-[4-[[5-iodanyl-4-[[(2R)-3-methyl-1-oxidanyl-butan-2-yl]amino]pyrimidin-2-yl]amino]phenyl]ethanone Openeye Name: 1-[4-[[4-[[(1R)-1-(hydroxymethyl)-2-methyl-propyl]amino]-5-iodo-pyrimidin-2-yl]amino]phenyl]ethanone CAS Name: 1-[4-[[4-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-5-iodo-2-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[4-[[4-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-5-iodopyrimidin-2-yl]amino]phenyl]ethanone Traditional Name: 1-[4-[[5-iodo-4-[[(1R)-2-methyl-1-methylol-propyl]amino]pyrimidin-2-yl]amino]phenyl]ethanone Formula: C17H21IN4O2 MolecularWeight: 440.27871

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CO)NC1=NC(=NC=C1I)NC2=CC=C(C=C2)C(=O)C

Isomeric SMILES

CC(C)[C@H](CO)NC1=NC(=NC=C1I)NC2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C17H21IN4O2/c1-10(2)15(9-23)21-16-14(18)8-19-17(22-16)20-13-6-4-12(5-7-13)11(3)24/h4-8,10,15,23H,9H2,1-3H3,(H2,19,20,21,22)/t15-/m0/s1