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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-(methylsulfanylmethyl)benzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-(methylsulfanylmethyl)benzoate CAS Name: 4-[(methylthio)methyl]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 4-(methylsulfanylmethyl)benzoate Traditional Name: 4-[(methylthio)methyl]benzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C19H19N5O2S MolecularWeight: 381.45146

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(C=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

CSCC1=CC=C(C=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C19H19N5O2S/c1-27-12-13-7-9-14(10-8-13)17(25)26-11-16-22-18(20)24-19(23-16)21-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H3,20,21,22,23,24)