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

Systemtic Name: [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] 4-iodanylbenzoate Openeye Name: [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-hexahydropyrimidin-4-yl] 4-iodobenzoate CAS Name: 4-iodobenzoic acid [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] ester IUPAC Name: [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] 4-iodobenzoate Traditional Name: 4-iodobenzoic acid [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-keto-1-methyl-hexahydropyrimidin-4-yl] ester Formula: C17H17IN4O3S MolecularWeight: 484.31135

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(N(C1=O)C2=NN=C(S2)C3CC3)OC(=O)C4=CC=C(C=C4)I

Isomeric SMILES

CN1CCC(N(C1=O)C2=NN=C(S2)C3CC3)OC(=O)C4=CC=C(C=C4)I

InChI

InChI=1S/C17H17IN4O3S/c1-21-9-8-13(25-15(23)11-4-6-12(18)7-5-11)22(17(21)24)16-20-19-14(26-16)10-2-3-10/h4-7,10,13H,2-3,8-9H2,1H3