methyl 2-[2-(3-azanyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-(3-azanyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]ethanoate Openeye Name: methyl 2-[[2-(3-amino-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]acetate CAS Name: 2-[[2-[(3-amino-4-oxo-5-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-(3-amino-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[(3-amino-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]amino]acetic acid methyl ester Formula: C17H16N4O4S2 MolecularWeight: 404.46334

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)CSC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1N

Isomeric SMILES

COC(=O)CNC(=O)CSC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1N

InChI

InChI=1S/C17H16N4O4S2/c1-25-13(23)7-19-12(22)9-27-17-20-15-14(16(24)21(17)18)11(8-26-15)10-5-3-2-4-6-10/h2-6,8H,7,9,18H2,1H3,(H,19,22)