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

Systemtic Name: 4-[[2-azanyl-6-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]amino]-N-pentyl-benzamide Openeye Name: 4-[[2-amino-6-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]amino]-N-pentyl-benzamide CAS Name: 4-[[2-amino-6-(1,3-benzothiazol-6-ylamino)-4-pyrimidinyl]amino]-N-pentylbenzamide IUPAC Name: 4-[[2-amino-6-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]amino]-N-pentylbenzamide Traditional Name: 4-[[2-amino-6-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]amino]-N-amyl-benzamide Formula: C23H25N7OS MolecularWeight: 447.5559

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N7OS/c1-2-3-4-11-25-22(31)15-5-7-16(8-6-15)27-20-13-21(30-23(24)29-20)28-17-9-10-18-19(12-17)32-14-26-18/h5-10,12-14H,2-4,11H2,1H3,(H,25,31)(H4,24,27,28,29,30)