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

Systemtic Name: propan-2-yl 5-chloranyl-3-(methylsulfanylmethyl)-2-oxidanylidene-1,3-dihydropyrazino[2,3-d]pyridazine-4-carboxylate Openeye Name: isopropyl 5-chloro-3-(methylsulfanylmethyl)-2-oxo-1,3-dihydropyrazino[2,3-d]pyridazine-4-carboxylate CAS Name: 5-chloro-3-[(methylthio)methyl]-2-oxo-1,3-dihydropyrazino[2,3-d]pyridazine-4-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-chloro-3-(methylsulfanylmethyl)-2-oxo-1,3-dihydropyrazino[2,3-d]pyridazine-4-carboxylate Traditional Name: 5-chloro-2-keto-3-[(methylthio)methyl]-1,3-dihydropyrazino[2,3-d]pyridazine-4-carboxylic acid isopropyl ester Formula: C12H15ClN4O3S MolecularWeight: 330.7905

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15ClN4O3S/c1-6(2)20-12(19)17-8(5-21-3)11(18)15-7-4-14-16-10(13)9(7)17/h4,6,8H,5H2,1-3H3,(H,15,18)