(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoate CAS Name: 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoic acid (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoate Traditional Name: 3-(4-keto-1,2,3-benzotriazin-3-yl)propionic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C20H18N8O3 MolecularWeight: 418.40872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H18N8O3/c21-19-23-16(24-20(25-19)22-13-6-2-1-3-7-13)12-31-17(29)10-11-28-18(30)14-8-4-5-9-15(14)26-27-28/h1-9H,10-12H2,(H3,21,22,23,24,25)