methyl 2-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 2-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C15H13N5O3S MolecularWeight: 343.36042

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C15H13N5O3S/c1-23-14(22)10-4-2-3-5-11(10)19-12(21)8-24-15-18-7-9(6-16)13(17)20-15/h2-5,7H,8H2,1H3,(H,19,21)(H2,17,18,20)