propan-2-yl 5-methoxy-3-(methylsulfanylmethyl)-2-sulfanylidene-1,3-dihydropyrazino[2,3-d]pyridazine-4-carboxylate

Systemtic Name: propan-2-yl 5-methoxy-3-(methylsulfanylmethyl)-2-sulfanylidene-1,3-dihydropyrazino[2,3-d]pyridazine-4-carboxylate Openeye Name: isopropyl 5-methoxy-3-(methylsulfanylmethyl)-2-thioxo-1,3-dihydropyrazino[2,3-d]pyridazine-4-carboxylate CAS Name: 5-methoxy-3-[(methylthio)methyl]-2-sulfanylidene-1,3-dihydropyrazino[2,3-d]pyridazine-4-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-methoxy-3-(methylsulfanylmethyl)-2-sulfanylidene-1,3-dihydropyrazino[2,3-d]pyridazine-4-carboxylate Traditional Name: 5-methoxy-3-[(methylthio)methyl]-2-thioxo-1,3-dihydropyrazino[2,3-d]pyridazine-4-carboxylic acid isopropyl ester Formula: C13H18N4O3S2 MolecularWeight: 342.43702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)N1C(C(=S)NC2=CN=NC(=C21)OC)CSC

Isomeric SMILES

CC(C)OC(=O)N1C(C(=S)NC2=CN=NC(=C21)OC)CSC

InChI

InChI=1S/C13H18N4O3S2/c1-7(2)20-13(18)17-9(6-22-4)12(21)15-8-5-14-16-11(19-3)10(8)17/h5,7,9H,6H2,1-4H3,(H,15,21)