[3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] 4-fluoranylbenzoate

Systemtic Name: [3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] 4-fluoranylbenzoate Openeye Name: [3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-hexahydropyrimidin-4-yl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] ester IUPAC Name: [3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-keto-1-methyl-hexahydropyrimidin-4-yl] ester Formula: C18H19FN4O3S MolecularWeight: 390.431863

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(N(C1=O)C2=NN=C(S2)C3CCC3)OC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CN1CCC(N(C1=O)C2=NN=C(S2)C3CCC3)OC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C18H19FN4O3S/c1-22-10-9-14(26-16(24)12-5-7-13(19)8-6-12)23(18(22)25)17-21-20-15(27-17)11-3-2-4-11/h5-8,11,14H,2-4,9-10H2,1H3