methyl 2-[[6-(butylamino)-5-cyano-2-methylsulfanyl-pyrimidin-4-yl]amino]ethanoate

Systemtic Name: methyl 2-[[6-(butylamino)-5-cyano-2-methylsulfanyl-pyrimidin-4-yl]amino]ethanoate Openeye Name: methyl 2-[[6-(butylamino)-5-cyano-2-methylsulfanyl-pyrimidin-4-yl]amino]acetate CAS Name: 2-[[6-(butylamino)-5-cyano-2-(methylthio)-4-pyrimidinyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[6-(butylamino)-5-cyano-2-methylsulfanylpyrimidin-4-yl]amino]acetate Traditional Name: 2-[[6-(butylamino)-5-cyano-2-(methylthio)pyrimidin-4-yl]amino]acetic acid methyl ester Formula: C13H19N5O2S MolecularWeight: 309.38726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC(=C1C#N)NCC(=O)OC)SC

Isomeric SMILES

CCCCNC1=NC(=NC(=C1C#N)NCC(=O)OC)SC

InChI

InChI=1S/C13H19N5O2S/c1-4-5-6-15-11-9(7-14)12(16-8-10(19)20-2)18-13(17-11)21-3/h4-6,8H2,1-3H3,(H2,15,16,17,18)