4-(3-butylsulfanyl-5-methyl-1,2-oxazol-4-yl)-N-(3-fluorophenyl)pyrimidin-2-amine

Systemtic Name: 4-(3-butylsulfanyl-5-methyl-1,2-oxazol-4-yl)-N-(3-fluorophenyl)pyrimidin-2-amine Openeye Name: 4-(3-butylsulfanyl-5-methyl-isoxazol-4-yl)-N-(3-fluorophenyl)pyrimidin-2-amine CAS Name: 4-[3-(butylthio)-5-methyl-4-isoxazolyl]-N-(3-fluorophenyl)-2-pyrimidinamine IUPAC Name: 4-(3-butylsulfanyl-5-methyl-1,2-oxazol-4-yl)-N-(3-fluorophenyl)pyrimidin-2-amine Traditional Name: [4-[3-(butylthio)-5-methyl-isoxazol-4-yl]pyrimidin-2-yl]-(3-fluorophenyl)amine Formula: C18H19FN4OS MolecularWeight: 358.433063

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NOC(=C1C2=NC(=NC=C2)NC3=CC(=CC=C3)F)C

Isomeric SMILES

CCCCSC1=NOC(=C1C2=NC(=NC=C2)NC3=CC(=CC=C3)F)C

InChI

InChI=1S/C18H19FN4OS/c1-3-4-10-25-17-16(12(2)24-23-17)15-8-9-20-18(22-15)21-14-7-5-6-13(19)11-14/h5-9,11H,3-4,10H2,1-2H3,(H,20,21,22)