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

Systemtic Name: 4-[[2-azanyl-6-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]amino]-N-cyclopentyl-benzamide Openeye Name: 4-[[2-amino-6-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]amino]-N-cyclopentyl-benzamide CAS Name: 4-[[2-amino-6-(1,3-benzothiazol-6-ylamino)-4-pyrimidinyl]amino]-N-cyclopentylbenzamide IUPAC Name: 4-[[2-amino-6-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]amino]-N-cyclopentylbenzamide Traditional Name: 4-[[2-amino-6-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]amino]-N-cyclopentyl-benzamide Formula: C23H23N7OS MolecularWeight: 445.54002

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2=CC=C(C=C2)NC3=CC(=NC(=N3)N)NC4=CC5=C(C=C4)N=CS5

Isomeric SMILES

C1CCC(C1)NC(=O)C2=CC=C(C=C2)NC3=CC(=NC(=N3)N)NC4=CC5=C(C=C4)N=CS5

InChI

InChI=1S/C23H23N7OS/c24-23-29-20(12-21(30-23)27-17-9-10-18-19(11-17)32-13-25-18)26-16-7-5-14(6-8-16)22(31)28-15-3-1-2-4-15/h5-13,15H,1-4H2,(H,28,31)(H4,24,26,27,29,30)