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

Systemtic Name: 4-[[2-azanyl-6-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]amino]-N-(2-methylphenyl)benzamide Openeye Name: 4-[[2-amino-6-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]amino]-N-(o-tolyl)benzamide CAS Name: 4-[[2-amino-6-(1,3-benzothiazol-6-ylamino)-4-pyrimidinyl]amino]-N-(2-methylphenyl)benzamide IUPAC Name: 4-[[2-amino-6-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]amino]-N-(2-methylphenyl)benzamide Traditional Name: 4-[[2-amino-6-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]amino]-N-(o-tolyl)benzamide Formula: C25H21N7OS MolecularWeight: 467.54554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC3=CC(=NC(=N3)N)NC4=CC5=C(C=C4)N=CS5

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC3=CC(=NC(=N3)N)NC4=CC5=C(C=C4)N=CS5

InChI

InChI=1S/C25H21N7OS/c1-15-4-2-3-5-19(15)30-24(33)16-6-8-17(9-7-16)28-22-13-23(32-25(26)31-22)29-18-10-11-20-21(12-18)34-14-27-20/h2-14H,1H3,(H,30,33)(H4,26,28,29,31,32)