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

Systemtic Name: 3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]-N-(3,3-dimethylbutyl)benzamide Openeye Name: 3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]-N-(3,3-dimethylbutyl)benzamide CAS Name: 3-[[4-(1,3-benzothiazol-6-ylamino)-2-pyrimidinyl]amino]-N-(3,3-dimethylbutyl)benzamide IUPAC Name: 3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]-N-(3,3-dimethylbutyl)benzamide Traditional Name: 3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]-N-(3,3-dimethylbutyl)benzamide Formula: C24H26N6OS MolecularWeight: 446.56784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N6OS/c1-24(2,3)10-12-25-22(31)16-5-4-6-17(13-16)29-23-26-11-9-21(30-23)28-18-7-8-19-20(14-18)32-15-27-19/h4-9,11,13-15H,10,12H2,1-3H3,(H,25,31)(H2,26,28,29,30)