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

Systemtic Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] 2-(3,5-dinitrophenyl)ethanoate Openeye Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-hexahydropyrimidin-4-yl] 2-(3,5-dinitrophenyl)acetate CAS Name: 2-(3,5-dinitrophenyl)acetic acid [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] ester IUPAC Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] 2-(3,5-dinitrophenyl)acetate Traditional Name: 2-(3,5-dinitrophenyl)acetic acid [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-keto-1-methyl-hexahydropyrimidin-4-yl] ester Formula: C19H22N6O7S MolecularWeight: 478.47898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN=C(S1)N2C(CCN(C2=O)C)OC(=O)CC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=NN=C(S1)N2C(CCN(C2=O)C)OC(=O)CC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H22N6O7S/c1-19(2,3)16-20-21-17(33-16)23-14(5-6-22(4)18(23)27)32-15(26)9-11-7-12(24(28)29)10-13(8-11)25(30)31/h7-8,10,14H,5-6,9H2,1-4H3