[3-(5-butoxy-1,3,4-thiadiazol-2-yl)-1-hex-4-ynyl-2-oxidanylidene-1,3-diazinan-4-yl] but-3-ynylsulfanylmethanoate

Systemtic Name: [3-(5-butoxy-1,3,4-thiadiazol-2-yl)-1-hex-4-ynyl-2-oxidanylidene-1,3-diazinan-4-yl] but-3-ynylsulfanylmethanoate Openeye Name: [3-(5-butoxy-1,3,4-thiadiazol-2-yl)-1-hex-4-ynyl-2-oxo-hexahydropyrimidin-4-yl] but-3-ynylsulfanylformate CAS Name: (but-3-ynylthio)formic acid [3-(5-butoxy-1,3,4-thiadiazol-2-yl)-1-hex-4-ynyl-2-oxo-1,3-diazinan-4-yl] ester IUPAC Name: [3-(5-butoxy-1,3,4-thiadiazol-2-yl)-1-hex-4-ynyl-2-oxo-1,3-diazinan-4-yl] but-3-ynylsulfanylformate Traditional Name: (but-3-ynylthio)formic acid [3-(5-butoxy-1,3,4-thiadiazol-2-yl)-1-hex-4-ynyl-2-keto-hexahydropyrimidin-4-yl] ester Formula: C21H28N4O4S2 MolecularWeight: 464.60142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NN=C(S1)N2C(CCN(C2=O)CCCC#CC)OC(=O)SCCC#C

Isomeric SMILES

CCCCOC1=NN=C(S1)N2C(CCN(C2=O)CCCC#CC)OC(=O)SCCC#C

InChI

InChI=1S/C21H28N4O4S2/c1-4-7-10-11-13-24-14-12-17(29-21(27)30-16-9-6-3)25(20(24)26)18-22-23-19(31-18)28-15-8-5-2/h3,17H,5,8-16H2,1-2H3