diethyl 2-[[(6-azanyl-2-methylsulfanyl-pyrimidin-4-yl)amino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[(6-azanyl-2-methylsulfanyl-pyrimidin-4-yl)amino]methylidene]propanedioate Openeye Name: diethyl 2-[[(6-amino-2-methylsulfanyl-pyrimidin-4-yl)amino]methylene]propanedioate CAS Name: 2-[[[6-amino-2-(methylthio)-4-pyrimidinyl]amino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[(6-amino-2-methylsulfanylpyrimidin-4-yl)amino]methylidene]propanedioate Traditional Name: 2-[[[6-amino-2-(methylthio)pyrimidin-4-yl]amino]methylene]malonic acid diethyl ester Formula: C13H18N4O4S MolecularWeight: 326.37142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=NC(=NC(=C1)N)SC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CNC1=NC(=NC(=C1)N)SC)C(=O)OCC

InChI

InChI=1S/C13H18N4O4S/c1-4-20-11(18)8(12(19)21-5-2)7-15-10-6-9(14)16-13(17-10)22-3/h6-7H,4-5H2,1-3H3,(H3,14,15,16,17)