(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-ethoxybenzoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-ethoxybenzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic 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 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C19H19N5O3 MolecularWeight: 365.38586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C19H19N5O3/c1-2-26-15-10-8-13(9-11-15)17(25)27-12-16-22-18(20)24-19(23-16)21-14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H3,20,21,22,23,24)