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

Systemtic Name: N-(1,3-benzothiazol-6-yl)-3-[[2-[(3-methylphenyl)amino]pyrimidin-4-yl]amino]benzamide Openeye Name: N-(1,3-benzothiazol-6-yl)-3-[[2-(3-methylanilino)pyrimidin-4-yl]amino]benzamide CAS Name: N-(1,3-benzothiazol-6-yl)-3-[[2-(3-methylanilino)-4-pyrimidinyl]amino]benzamide IUPAC Name: N-(1,3-benzothiazol-6-yl)-3-[[2-(3-methylanilino)pyrimidin-4-yl]amino]benzamide Traditional Name: N-(1,3-benzothiazol-6-yl)-3-[[2-(m-toluidino)pyrimidin-4-yl]amino]benzamide Formula: C25H20N6OS MolecularWeight: 452.5309

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC=CC(=N2)NC3=CC=CC(=C3)C(=O)NC4=CC5=C(C=C4)N=CS5

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC=CC(=N2)NC3=CC=CC(=C3)C(=O)NC4=CC5=C(C=C4)N=CS5

InChI

InChI=1S/C25H20N6OS/c1-16-4-2-6-18(12-16)30-25-26-11-10-23(31-25)28-19-7-3-5-17(13-19)24(32)29-20-8-9-21-22(14-20)33-15-27-21/h2-15H,1H3,(H,29,32)(H2,26,28,30,31)