2-[[2,4-bis(oxidanylidene)-7-pyrimidin-5-yl-thiochromen-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[2,4-bis(oxidanylidene)-7-pyrimidin-5-yl-thiochromen-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[(2,4-dioxo-7-pyrimidin-5-yl-thiochromane-3-carbonyl)amino]acetic acid CAS Name: 2-[[[2,4-dioxo-7-(5-pyrimidinyl)-1-benzothiopyran-3-yl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[(2,4-dioxo-7-pyrimidin-5-ylthiochromene-3-carbonyl)amino]acetic acid Traditional Name: 2-[[2,4-diketo-7-(5-pyrimidyl)thiochroman-3-carbonyl]amino]acetic acid Formula: C16H11N3O5S MolecularWeight: 357.34064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C3=CN=CN=C3)SC(=O)C(C2=O)C(=O)NCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1C3=CN=CN=C3)SC(=O)C(C2=O)C(=O)NCC(=O)O

InChI

InChI=1S/C16H11N3O5S/c20-12(21)6-19-15(23)13-14(22)10-2-1-8(3-11(10)25-16(13)24)9-4-17-7-18-5-9/h1-5,7,13H,6H2,(H,19,23)(H,20,21)