[3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] but-3-ynoate

Systemtic Name: [3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] but-3-ynoate Openeye Name: [3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-hexahydropyrimidin-4-yl] but-3-ynoate CAS Name: 3-butynoic acid [3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] ester IUPAC Name: [3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] but-3-ynoate Traditional Name: but-3-ynoic acid [3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-keto-1-methyl-hexahydropyrimidin-4-yl] ester Formula: C16H20N4O3S MolecularWeight: 348.42

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(N(C1=O)C2=NN=C(S2)C3CCCC3)OC(=O)CC#C

Isomeric SMILES

CN1CCC(N(C1=O)C2=NN=C(S2)C3CCCC3)OC(=O)CC#C

InChI

InChI=1S/C16H20N4O3S/c1-3-6-13(21)23-12-9-10-19(2)16(22)20(12)15-18-17-14(24-15)11-7-4-5-8-11/h1,11-12H,4-10H2,2H3