3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]-N-(2-methyl-1-oxidanyl-propan-2-yl)benzamide

Systemtic Name: 3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]-N-(2-methyl-1-oxidanyl-propan-2-yl)benzamide Openeye Name: 3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]-N-(2-hydroxy-1,1-dimethyl-ethyl)benzamide CAS Name: 3-[[4-(1,3-benzothiazol-6-ylamino)-2-pyrimidinyl]amino]-N-(1-hydroxy-2-methylpropan-2-yl)benzamide IUPAC Name: 3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]-N-(1-hydroxy-2-methylpropan-2-yl)benzamide Traditional Name: 3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]-N-(2-hydroxy-1,1-dimethyl-ethyl)benzamide Formula: C22H22N6O2S MolecularWeight: 434.51408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)NC(=O)C1=CC(=CC=C1)NC2=NC=CC(=N2)NC3=CC4=C(C=C3)N=CS4

Isomeric SMILES

CC(C)(CO)NC(=O)C1=CC(=CC=C1)NC2=NC=CC(=N2)NC3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C22H22N6O2S/c1-22(2,12-29)28-20(30)14-4-3-5-15(10-14)26-21-23-9-8-19(27-21)25-16-6-7-17-18(11-16)31-13-24-17/h3-11,13,29H,12H2,1-2H3,(H,28,30)(H2,23,25,26,27)