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

Systemtic Name: methyl 5-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoylamino]-2-chloranyl-benzoate Openeye Name: methyl 5-[[2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanylacetyl]amino]-2-chloro-benzoate CAS Name: 5-[[2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-1-oxoethyl]amino]-2-chlorobenzoic acid methyl ester IUPAC Name: methyl 5-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]amino]-2-chlorobenzoate Traditional Name: 5-[[2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]acetyl]amino]-2-chloro-benzoic acid methyl ester Formula: C15H12ClN5O3S MolecularWeight: 377.80548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12ClN5O3S/c1-24-14(23)10-4-9(2-3-11(10)16)20-12(22)7-25-15-19-6-8(5-17)13(18)21-15/h2-4,6H,7H2,1H3,(H,20,22)(H2,18,19,21)