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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-methylsulfonylbenzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic 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-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C18H17N5O4S MolecularWeight: 399.42368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O4S/c1-28(25,26)14-9-7-12(8-10-14)16(24)27-11-15-21-17(19)23-18(22-15)20-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H3,19,20,21,22,23)