3-azanyl-7-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-one

Systemtic Name: 3-azanyl-7-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-one Openeye Name: 3-amino-7-[2-(4-methoxyphenyl)-2-oxo-ethyl]-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-one CAS Name: 3-amino-7-[2-(4-methoxyphenyl)-2-oxoethyl]-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-one IUPAC Name: 3-amino-7-[2-(4-methoxyphenyl)-2-oxoethyl]-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-one Traditional Name: 3-amino-7-[2-keto-2-(4-methoxyphenyl)ethyl]-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-one Formula: C13H12N6O3 MolecularWeight: 300.27278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CC2=NC3=NN=C(N3NC2=O)N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CC2=NC3=NN=C(N3NC2=O)N

InChI

InChI=1S/C13H12N6O3/c1-22-8-4-2-7(3-5-8)10(20)6-9-11(21)18-19-12(14)16-17-13(19)15-9/h2-5H,6H2,1H3,(H2,14,16)(H,18,21)