1-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-3-[4-(trifluoromethylsulfanyl)phenyl]urea

Systemtic Name: 1-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-3-[4-(trifluoromethylsulfanyl)phenyl]urea Openeye Name: 1-[[4-(3-pyridyl)pyrimidin-2-yl]amino]-3-[4-(trifluoromethylsulfanyl)phenyl]urea CAS Name: 1-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-3-[4-(trifluoromethylthio)phenyl]urea IUPAC Name: 1-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-3-[4-(trifluoromethylsulfanyl)phenyl]urea Traditional Name: 1-[[4-(3-pyridyl)pyrimidin-2-yl]amino]-3-[4-(trifluoromethylthio)phenyl]urea Formula: C17H13F3N6OS MolecularWeight: 406.38493

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NC(=NC=C2)NNC(=O)NC3=CC=C(C=C3)SC(F)(F)F

Isomeric SMILES

C1=CC(=CN=C1)C2=NC(=NC=C2)NNC(=O)NC3=CC=C(C=C3)SC(F)(F)F

InChI

InChI=1S/C17H13F3N6OS/c18-17(19,20)28-13-5-3-12(4-6-13)23-16(27)26-25-15-22-9-7-14(24-15)11-2-1-8-21-10-11/h1-10H,(H,22,24,25)(H2,23,26,27)