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

Systemtic Name: 3-[[2-azanyl-6-[(3-methoxyphenyl)amino]pyrimidin-4-yl]amino]-N-(1,3-benzothiazol-6-yl)benzamide Openeye Name: 3-[[2-amino-6-(3-methoxyanilino)pyrimidin-4-yl]amino]-N-(1,3-benzothiazol-6-yl)benzamide CAS Name: 3-[[2-amino-6-(3-methoxyanilino)-4-pyrimidinyl]amino]-N-(1,3-benzothiazol-6-yl)benzamide IUPAC Name: 3-[[2-amino-6-(3-methoxyanilino)pyrimidin-4-yl]amino]-N-(1,3-benzothiazol-6-yl)benzamide Traditional Name: 3-[[2-amino-6-(m-anisidino)pyrimidin-4-yl]amino]-N-(1,3-benzothiazol-6-yl)benzamide Formula: C25H21N7O2S MolecularWeight: 483.54494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC(=NC(=C2)NC3=CC=CC(=C3)C(=O)NC4=CC5=C(C=C4)N=CS5)N

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC(=NC(=C2)NC3=CC=CC(=C3)C(=O)NC4=CC5=C(C=C4)N=CS5)N

InChI

InChI=1S/C25H21N7O2S/c1-34-19-7-3-6-17(11-19)29-23-13-22(31-25(26)32-23)28-16-5-2-4-15(10-16)24(33)30-18-8-9-20-21(12-18)35-14-27-20/h2-14H,1H3,(H,30,33)(H4,26,28,29,31,32)