3-[2-oxidanylidene-3-(phenylmethyl)-[1,2,4]triazino[2,3-c]quinazolin-6-yl]propanoic acid

Systemtic Name: 3-[2-oxidanylidene-3-(phenylmethyl)-[1,2,4]triazino[2,3-c]quinazolin-6-yl]propanoic acid Openeye Name: 3-(3-benzyl-2-oxo-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propanoic acid CAS Name: 3-[2-oxo-3-(phenylmethyl)-[1,2,4]triazino[2,3-c]quinazolin-6-yl]propanoic acid IUPAC Name: 3-(3-benzyl-2-oxo-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propanoic acid Traditional Name: 3-(3-benzyl-2-keto-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propionic acid Formula: C20H16N4O3 MolecularWeight: 360.36604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN3C(=NC4=CC=CC=C4C3=NC2=O)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN3C(=NC4=CC=CC=C4C3=NC2=O)CCC(=O)O

InChI

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