methyl 2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[3-(4-fluorophenyl)isoxazolo[5,4-d]pyrimidin-4-yl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[3-(4-fluorophenyl)-4-isoxazolo[5,4-d]pyrimidinyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[3-(4-fluorophenyl)isoxazolo[5,4-d]pyrimidin-4-yl]amino]-4-(methylthio)butyric acid methyl ester Formula: C17H17FN4O3S MolecularWeight: 376.405283

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC1=C2C(=NOC2=NC=N1)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C(CCSC)NC1=C2C(=NOC2=NC=N1)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H17FN4O3S/c1-24-17(23)12(7-8-26-2)21-15-13-14(10-3-5-11(18)6-4-10)22-25-16(13)20-9-19-15/h3-6,9,12H,7-8H2,1-2H3,(H,19,20,21)