ethyl 3-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 3-[[2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 3-[[2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C16H15N5O3S MolecularWeight: 357.387

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N5O3S/c1-2-24-15(23)10-4-3-5-12(6-10)20-13(22)9-25-16-19-8-11(7-17)14(18)21-16/h3-6,8H,2,9H2,1H3,(H,20,22)(H2,18,19,21)