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

Systemtic Name: 4-[[2-azanyl-6-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]amino]-N-hexyl-benzamide Openeye Name: 4-[[2-amino-6-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]amino]-N-hexyl-benzamide CAS Name: 4-[[2-amino-6-(1,3-benzothiazol-6-ylamino)-4-pyrimidinyl]amino]-N-hexylbenzamide IUPAC Name: 4-[[2-amino-6-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]amino]-N-hexylbenzamide Traditional Name: 4-[[2-amino-6-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]amino]-N-hexyl-benzamide Formula: C24H27N7OS MolecularWeight: 461.58248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N7OS/c1-2-3-4-5-12-26-23(32)16-6-8-17(9-7-16)28-21-14-22(31-24(25)30-21)29-18-10-11-19-20(13-18)33-15-27-19/h6-11,13-15H,2-5,12H2,1H3,(H,26,32)(H4,25,28,29,30,31)