[3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] (3-nitrophenyl) carbonate

Systemtic Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] (3-nitrophenyl) carbonate Openeye Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-hexahydropyrimidin-4-yl] (3-nitrophenyl) carbonate CAS Name: carbonic acid [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] (3-nitrophenyl) ester IUPAC Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] (3-nitrophenyl) carbonate Traditional Name: carbonic acid [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-keto-1-methyl-hexahydropyrimidin-4-yl] (3-nitrophenyl) ester Formula: C18H21N5O6S MolecularWeight: 435.45424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN=C(S1)N2C(CCN(C2=O)C)OC(=O)OC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=NN=C(S1)N2C(CCN(C2=O)C)OC(=O)OC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O6S/c1-18(2,3)14-19-20-15(30-14)22-13(8-9-21(4)16(22)24)29-17(25)28-12-7-5-6-11(10-12)23(26)27/h5-7,10,13H,8-9H2,1-4H3