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

Systemtic Name: 4-(2-oxidanylidene-3-phenyl-[1,2,4]triazino[2,3-c]quinazolin-6-yl)butanoate Openeye Name: 4-(2-oxo-3-phenyl-[1,2,4]triazino[2,3-c]quinazolin-6-yl)butanoate CAS Name: 4-(2-oxo-3-phenyl-[1,2,4]triazino[2,3-c]quinazolin-6-yl)butanoate IUPAC Name: 4-(2-oxo-3-phenyl-[1,2,4]triazino[2,3-c]quinazolin-6-yl)butanoate Traditional Name: 4-(2-keto-3-phenyl-[1,2,4]triazino[2,3-c]quinazolin-6-yl)butyrate Formula: C20H15N4O3- MolecularWeight: 359.3581

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN3C(=NC4=CC=CC=C4C3=NC2=O)CCCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN3C(=NC4=CC=CC=C4C3=NC2=O)CCCC(=O)[O-]

InChI

InChI=1S/C20H16N4O3/c25-17(26)12-6-11-16-21-15-10-5-4-9-14(15)19-22-20(27)18(23-24(16)19)13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2,(H,25,26)/p-1