4-[[2-azanyl-6-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]amino]-N-(2-oxidanylpropyl)benzamide

Systemtic Name: 4-[[2-azanyl-6-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]amino]-N-(2-oxidanylpropyl)benzamide Openeye Name: 4-[[2-amino-6-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]amino]-N-(2-hydroxypropyl)benzamide CAS Name: 4-[[2-amino-6-(1,3-benzothiazol-6-ylamino)-4-pyrimidinyl]amino]-N-(2-hydroxypropyl)benzamide IUPAC Name: 4-[[2-amino-6-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]amino]-N-(2-hydroxypropyl)benzamide Traditional Name: 4-[[2-amino-6-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]amino]-N-(2-hydroxypropyl)benzamide Formula: C21H21N7O2S MolecularWeight: 435.50214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N7O2S/c1-12(29)10-23-20(30)13-2-4-14(5-3-13)25-18-9-19(28-21(22)27-18)26-15-6-7-16-17(8-15)31-11-24-16/h2-9,11-12,29H,10H2,1H3,(H,23,30)(H4,22,25,26,27,28)