3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]-N-[(5-methylfuran-2-yl)methyl]benzamide

Systemtic Name: 3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]-N-[(5-methylfuran-2-yl)methyl]benzamide Openeye Name: 3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]-N-[(5-methyl-2-furyl)methyl]benzamide CAS Name: 3-[[4-(1,3-benzothiazol-6-ylamino)-2-pyrimidinyl]amino]-N-[(5-methyl-2-furanyl)methyl]benzamide IUPAC Name: 3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]-N-[(5-methylfuran-2-yl)methyl]benzamide Traditional Name: 3-[[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]amino]-N-[(5-methyl-2-furyl)methyl]benzamide Formula: C24H20N6O2S MolecularWeight: 456.5196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CNC(=O)C2=CC(=CC=C2)NC3=NC=CC(=N3)NC4=CC5=C(C=C4)N=CS5

Isomeric SMILES

CC1=CC=C(O1)CNC(=O)C2=CC(=CC=C2)NC3=NC=CC(=N3)NC4=CC5=C(C=C4)N=CS5

InChI

InChI=1S/C24H20N6O2S/c1-15-5-7-19(32-15)13-26-23(31)16-3-2-4-17(11-16)29-24-25-10-9-22(30-24)28-18-6-8-20-21(12-18)33-14-27-20/h2-12,14H,13H2,1H3,(H,26,31)(H2,25,28,29,30)