ethanedioate; 3-(3-methyl-1,2,3,4-tetrahydropyrimidine-1,3-diium-5-yl)-4-phenylmethoxy-1,2,5-thiadiazole

Systemtic Name: ethanedioate; 3-(3-methyl-1,2,3,4-tetrahydropyrimidine-1,3-diium-5-yl)-4-phenylmethoxy-1,2,5-thiadiazole Openeye Name: 3-benzyloxy-4-(3-methyl-1,2,3,4-tetrahydropyrimidine-1,3-diium-5-yl)-1,2,5-thiadiazole; oxalate CAS Name: 3-(3-methyl-1,2,3,4-tetrahydropyrimidine-1,3-diium-5-yl)-4-phenylmethoxy-1,2,5-thiadiazole; oxalate IUPAC Name: 3-(3-methyl-1,2,3,4-tetrahydropyrimidine-1,3-diium-5-yl)-4-phenylmethoxy-1,2,5-thiadiazole; oxalate Traditional Name: 3-benzoxy-4-(3-methyl-1,2,3,4-tetrahydropyrimidine-1,3-diium-5-yl)-1,2,5-thiadiazole; oxalate Formula: C16H18N4O5S MolecularWeight: 378.40292

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC(=C[NH2+]C1)C2=NSN=C2OCC3=CC=CC=C3.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

C[NH+]1CC(=C[NH2+]C1)C2=NSN=C2OCC3=CC=CC=C3.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C14H16N4OS.C2H2O4/c1-18-8-12(7-15-10-18)13-14(17-20-16-13)19-9-11-5-3-2-4-6-11;3-1(4)2(5)6/h2-7,15H,8-10H2,1H3;(H,3,4)(H,5,6)