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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-methylsulfanylbenzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-methylsulfanylbenzoate CAS Name: 2-(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-methylsulfanylbenzoate Traditional Name: 2-(methylthio)benzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C18H17N5O2S MolecularWeight: 367.42488

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

CSC1=CC=CC=C1C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C18H17N5O2S/c1-26-14-10-6-5-9-13(14)16(24)25-11-15-21-17(19)23-18(22-15)20-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H3,19,20,21,22,23)