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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)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 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C19H19N5O3S MolecularWeight: 397.45086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C19H19N5O3S/c1-26-15-10-13(28-2)8-9-14(15)17(25)27-11-16-22-18(20)24-19(23-16)21-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H3,20,21,22,23,24)