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

Systemtic Name: 4-[[2-azanyl-6-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]amino]-N-(2-ethylphenyl)benzamide Openeye Name: 4-[[2-amino-6-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]amino]-N-(2-ethylphenyl)benzamide CAS Name: 4-[[2-amino-6-(1,3-benzothiazol-6-ylamino)-4-pyrimidinyl]amino]-N-(2-ethylphenyl)benzamide IUPAC Name: 4-[[2-amino-6-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]amino]-N-(2-ethylphenyl)benzamide Traditional Name: 4-[[2-amino-6-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]amino]-N-(2-ethylphenyl)benzamide Formula: C26H23N7OS MolecularWeight: 481.57212

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC3=CC(=NC(=N3)N)NC4=CC5=C(C=C4)N=CS5

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC3=CC(=NC(=N3)N)NC4=CC5=C(C=C4)N=CS5

InChI

InChI=1S/C26H23N7OS/c1-2-16-5-3-4-6-20(16)31-25(34)17-7-9-18(10-8-17)29-23-14-24(33-26(27)32-23)30-19-11-12-21-22(13-19)35-15-28-21/h3-15H,2H2,1H3,(H,31,34)(H4,27,29,30,32,33)