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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-propan-2-ylbenzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-isopropylbenzoate CAS Name: 4-propan-2-ylbenzoic 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-propan-2-ylbenzoate Traditional Name: 4-isopropylbenzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C20H21N5O2 MolecularWeight: 363.41304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O2/c1-13(2)14-8-10-15(11-9-14)18(26)27-12-17-23-19(21)25-20(24-17)22-16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3,(H3,21,22,23,24,25)