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

Systemtic Name: 3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]-N-(furan-2-ylmethyl)benzamide Openeye Name: 3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]-N-(2-furylmethyl)benzamide CAS Name: 3-[[4-(1,3-benzothiazol-6-ylamino)-2-pyrimidinyl]amino]-N-(2-furanylmethyl)benzamide IUPAC Name: 3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]-N-(furan-2-ylmethyl)benzamide Traditional Name: 3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]-N-(2-furfuryl)benzamide Formula: C23H18N6O2S MolecularWeight: 442.49302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC=CC(=N2)NC3=CC4=C(C=C3)N=CS4)C(=O)NCC5=CC=CO5

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC=CC(=N2)NC3=CC4=C(C=C3)N=CS4)C(=O)NCC5=CC=CO5

InChI

InChI=1S/C23H18N6O2S/c30-22(25-13-18-5-2-10-31-18)15-3-1-4-16(11-15)28-23-24-9-8-21(29-23)27-17-6-7-19-20(12-17)32-14-26-19/h1-12,14H,13H2,(H,25,30)(H2,24,27,28,29)