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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate CAS Name: 3-(2-oxo-1,3-benzoxazol-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-(2-oxo-1,3-benzoxazol-3-yl)propanoate Traditional Name: 3-(2-keto-1,3-benzoxazol-3-yl)propionic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C20H18N6O4 MolecularWeight: 406.39472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CCN3C4=CC=CC=C4OC3=O

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CCN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C20H18N6O4/c21-18-23-16(24-19(25-18)22-13-6-2-1-3-7-13)12-29-17(27)10-11-26-14-8-4-5-9-15(14)30-20(26)28/h1-9H,10-12H2,(H3,21,22,23,24,25)