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

Systemtic Name: 3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]-N-(2-methoxyphenyl)benzamide Openeye Name: 3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]-N-(2-methoxyphenyl)benzamide CAS Name: 3-[[4-(1,3-benzothiazol-6-ylamino)-2-pyrimidinyl]amino]-N-(2-methoxyphenyl)benzamide IUPAC Name: 3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]-N-(2-methoxyphenyl)benzamide Traditional Name: 3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]-N-(2-methoxyphenyl)benzamide Formula: C25H20N6O2S MolecularWeight: 468.5303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)NC3=NC=CC(=N3)NC4=CC5=C(C=C4)N=CS5

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)NC3=NC=CC(=N3)NC4=CC5=C(C=C4)N=CS5

InChI

InChI=1S/C25H20N6O2S/c1-33-21-8-3-2-7-19(21)30-24(32)16-5-4-6-17(13-16)29-25-26-12-11-23(31-25)28-18-9-10-20-22(14-18)34-15-27-20/h2-15H,1H3,(H,30,32)(H2,26,28,29,31)