methyl 3-[2-(4-azanylthieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 3-[2-(4-azanylthieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 3-[[2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 3-[[2-[(4-amino-2-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(4-aminothieno[2,3-d]pyrimidin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C16H14N4O3S2 MolecularWeight: 374.43736

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC(=C3C=CSC3=N2)N

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC(=C3C=CSC3=N2)N

InChI

InChI=1S/C16H14N4O3S2/c1-23-15(22)9-3-2-4-10(7-9)18-12(21)8-25-16-19-13(17)11-5-6-24-14(11)20-16/h2-7H,8H2,1H3,(H,18,21)(H2,17,19,20)