3-(2-oxidanylidene-3-thiophen-2-yl-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propanoate

Systemtic Name: 3-(2-oxidanylidene-3-thiophen-2-yl-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propanoate Openeye Name: 3-[2-oxo-3-(2-thienyl)-[1,2,4]triazino[2,3-c]quinazolin-6-yl]propanoate CAS Name: 3-(2-oxo-3-thiophen-2-yl-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propanoate IUPAC Name: 3-(2-oxo-3-thiophen-2-yl-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propanoate Traditional Name: 3-[2-keto-3-(2-thienyl)-[1,2,4]triazino[2,3-c]quinazolin-6-yl]propionate Formula: C17H11N4O3S- MolecularWeight: 351.35924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=NC(=O)C(=NN3C(=N2)CCC(=O)[O-])C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C3=NC(=O)C(=NN3C(=N2)CCC(=O)[O-])C4=CC=CS4

InChI

InChI=1S/C17H12N4O3S/c22-14(23)8-7-13-18-11-5-2-1-4-10(11)16-19-17(24)15(20-21(13)16)12-6-3-9-25-12/h1-6,9H,7-8H2,(H,22,23)/p-1