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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 5-methyl-2-oxidanyl-benzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-hydroxy-5-methyl-benzoate CAS Name: 2-hydroxy-5-methylbenzoic 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-hydroxy-5-methylbenzoate Traditional Name: 2-hydroxy-5-methyl-benzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C18H17N5O3 MolecularWeight: 351.35928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O3/c1-11-7-8-14(24)13(9-11)16(25)26-10-15-21-17(19)23-18(22-15)20-12-5-3-2-4-6-12/h2-9,24H,10H2,1H3,(H3,19,20,21,22,23)