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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2,3,4,5,6-pentamethylbenzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2,3,4,5,6-pentamethylbenzoate CAS Name: 2,3,4,5,6-pentamethylbenzoic 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 2,3,4,5,6-pentamethylbenzoate Traditional Name: 2,3,4,5,6-pentamethylbenzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C22H25N5O2 MolecularWeight: 391.4662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)C)C

InChI

InChI=1S/C22H25N5O2/c1-12-13(2)15(4)19(16(5)14(12)3)20(28)29-11-18-25-21(23)27-22(26-18)24-17-9-7-6-8-10-17/h6-10H,11H2,1-5H3,(H3,23,24,25,26,27)