(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-methoxy-4-(3-methylbutoxy)benzoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-methoxy-4-(3-methylbutoxy)benzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-isopentyloxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-(3-methylbutoxy)benzoic 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-methoxy-4-(3-methylbutoxy)benzoate Traditional Name: 4-isoamoxy-3-methoxy-benzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C23H27N5O4 MolecularWeight: 437.49158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O4/c1-15(2)11-12-31-18-10-9-16(13-19(18)30-3)21(29)32-14-20-26-22(24)28-23(27-20)25-17-7-5-4-6-8-17/h4-10,13,15H,11-12,14H2,1-3H3,(H3,24,25,26,27,28)