ethyl 2-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoylamino]ethanoate

Systemtic Name: ethyl 2-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoylamino]ethanoate Openeye Name: ethyl 2-[[2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanylacetyl]amino]acetate CAS Name: 2-[[2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-1-oxoethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]acetyl]amino]acetic acid ethyl ester Formula: C11H13N5O3S MolecularWeight: 295.31762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)CSC1=NC=C(C(=N1)N)C#N

Isomeric SMILES

CCOC(=O)CNC(=O)CSC1=NC=C(C(=N1)N)C#N

InChI

InChI=1S/C11H13N5O3S/c1-2-19-9(18)5-14-8(17)6-20-11-15-4-7(3-12)10(13)16-11/h4H,2,5-6H2,1H3,(H,14,17)(H2,13,15,16)