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

Systemtic Name: propan-2-yl 5-methoxy-2-(methylsulfanylmethyl)-3-sulfanylidene-2,4-dihydropyrazino[2,3-d]pyridazine-1-carboxylate Openeye Name: isopropyl 5-methoxy-2-(methylsulfanylmethyl)-3-thioxo-2,4-dihydropyrazino[2,3-d]pyridazine-1-carboxylate CAS Name: 5-methoxy-2-[(methylthio)methyl]-3-sulfanylidene-2,4-dihydropyrazino[2,3-d]pyridazine-1-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-methoxy-2-(methylsulfanylmethyl)-3-sulfanylidene-2,4-dihydropyrazino[2,3-d]pyridazine-1-carboxylate Traditional Name: 5-methoxy-2-[(methylthio)methyl]-3-thioxo-2,4-dihydropyrazino[2,3-d]pyridazine-1-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=C(N=NC=C21)OC)CSC

Isomeric SMILES

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

InChI

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