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

Systemtic Name: 3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]-N-cycloheptyl-benzamide Openeye Name: 3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]-N-cycloheptyl-benzamide CAS Name: 3-[[4-(1,3-benzothiazol-6-ylamino)-2-pyrimidinyl]amino]-N-cycloheptylbenzamide IUPAC Name: 3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]-N-cycloheptylbenzamide Traditional Name: 3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]-N-cycloheptyl-benzamide Formula: C25H26N6OS MolecularWeight: 458.57854

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)C2=CC(=CC=C2)NC3=NC=CC(=N3)NC4=CC5=C(C=C4)N=CS5

Isomeric SMILES

C1CCCC(CC1)NC(=O)C2=CC(=CC=C2)NC3=NC=CC(=N3)NC4=CC5=C(C=C4)N=CS5

InChI

InChI=1S/C25H26N6OS/c32-24(29-18-7-3-1-2-4-8-18)17-6-5-9-19(14-17)30-25-26-13-12-23(31-25)28-20-10-11-21-22(15-20)33-16-27-21/h5-6,9-16,18H,1-4,7-8H2,(H,29,32)(H2,26,28,30,31)