methyl 3-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanylacetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C13H11N5O3S2 MolecularWeight: 349.38814

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CSC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CSC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C13H11N5O3S2/c1-21-12(20)10-8(2-3-22-10)17-9(19)6-23-13-16-5-7(4-14)11(15)18-13/h2-3,5H,6H2,1H3,(H,17,19)(H2,15,16,18)