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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3,4-dimethylbenzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic 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-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C19H19N5O2 MolecularWeight: 349.38646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)C

InChI

InChI=1S/C19H19N5O2/c1-12-8-9-14(10-13(12)2)17(25)26-11-16-22-18(20)24-19(23-16)21-15-6-4-3-5-7-15/h3-10H,11H2,1-2H3,(H3,20,21,22,23,24)