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

Systemtic Name: 4-(2-oxidanylidene-3-thiophen-2-yl-[1,2,4]triazino[2,3-c]quinazolin-6-yl)butanoate Openeye Name: 4-[2-oxo-3-(2-thienyl)-[1,2,4]triazino[2,3-c]quinazolin-6-yl]butanoate CAS Name: 4-(2-oxo-3-thiophen-2-yl-[1,2,4]triazino[2,3-c]quinazolin-6-yl)butanoate IUPAC Name: 4-(2-oxo-3-thiophen-2-yl-[1,2,4]triazino[2,3-c]quinazolin-6-yl)butanoate Traditional Name: 4-[2-keto-3-(2-thienyl)-[1,2,4]triazino[2,3-c]quinazolin-6-yl]butyrate Formula: C18H13N4O3S- MolecularWeight: 365.38582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N4O3S/c23-15(24)9-3-8-14-19-12-6-2-1-5-11(12)17-20-18(25)16(21-22(14)17)13-7-4-10-26-13/h1-2,4-7,10H,3,8-9H2,(H,23,24)/p-1