1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-sulfonyl-urea; methyl 4-iodanylbenzoate

Systemtic Name: 1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-sulfonyl-urea; methyl 4-iodanylbenzoate Openeye Name: 1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-sulfonyl-urea; methyl 4-iodobenzoate CAS Name: 4-iodobenzoic acid methyl ester; 1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-sulfonylurea IUPAC Name: 1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-sulfonylurea; methyl 4-iodobenzoate Traditional Name: 4-iodobenzoic acid methyl ester; 1-(4-methoxy-6-methyl-s-triazin-2-yl)-3-sulfonyl-urea Formula: C14H14IN5O6S MolecularWeight: 507.26033

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=N1)OC)NC(=O)N=S(=O)=O.COC(=O)C1=CC=C(C=C1)I

Isomeric SMILES

CC1=NC(=NC(=N1)OC)NC(=O)N=S(=O)=O.COC(=O)C1=CC=C(C=C1)I

InChI

InChI=1S/C8H7IO2.C6H7N5O4S/c1-11-8(10)6-2-4-7(9)5-3-6;1-3-7-4(10-6(8-3)15-2)9-5(12)11-16(13)14/h2-5H,1H3;1-2H3,(H,7,8,9,10,12)