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

Systemtic Name: 3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]-N-(phenylmethyl)benzamide Openeye Name: 3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]-N-benzyl-benzamide CAS Name: 3-[[4-(1,3-benzothiazol-6-ylamino)-2-pyrimidinyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: 3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]-N-benzylbenzamide Traditional Name: 3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]-N-benzyl-benzamide Formula: C25H20N6OS MolecularWeight: 452.5309

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)NC3=NC=CC(=N3)NC4=CC5=C(C=C4)N=CS5

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)NC3=NC=CC(=N3)NC4=CC5=C(C=C4)N=CS5

InChI

InChI=1S/C25H20N6OS/c32-24(27-15-17-5-2-1-3-6-17)18-7-4-8-19(13-18)30-25-26-12-11-23(31-25)29-20-9-10-21-22(14-20)33-16-28-21/h1-14,16H,15H2,(H,27,32)(H2,26,29,30,31)