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

Systemtic Name: ethanedioate; 3-ethoxy-4-(3-methyl-1,2,3,4-tetrahydropyrimidine-1,3-diium-5-yl)-1,2,5-thiadiazole Openeye Name: 3-ethoxy-4-(3-methyl-1,2,3,4-tetrahydropyrimidine-1,3-diium-5-yl)-1,2,5-thiadiazole; oxalate CAS Name: 3-ethoxy-4-(3-methyl-1,2,3,4-tetrahydropyrimidine-1,3-diium-5-yl)-1,2,5-thiadiazole; oxalate IUPAC Name: 3-ethoxy-4-(3-methyl-1,2,3,4-tetrahydropyrimidine-1,3-diium-5-yl)-1,2,5-thiadiazole; oxalate Traditional Name: 3-ethoxy-4-(3-methyl-1,2,3,4-tetrahydropyrimidine-1,3-diium-5-yl)-1,2,5-thiadiazole; oxalate Formula: C11H16N4O5S MolecularWeight: 316.33354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NSN=C1C2=C[NH2+]C[NH+](C2)C.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CCOC1=NSN=C1C2=C[NH2+]C[NH+](C2)C.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C9H14N4OS.C2H2O4/c1-3-14-9-8(11-15-12-9)7-4-10-6-13(2)5-7;3-1(4)2(5)6/h4,10H,3,5-6H2,1-2H3;(H,3,4)(H,5,6)