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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-ethylsulfonylbenzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-ethylsulfonylbenzoate CAS Name: 2-ethylsulfonylbenzoic 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-ethylsulfonylbenzoate Traditional Name: 2-esylbenzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C19H19N5O4S MolecularWeight: 413.45026

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C19H19N5O4S/c1-2-29(26,27)15-11-7-6-10-14(15)17(25)28-12-16-22-18(20)24-19(23-16)21-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H3,20,21,22,23,24)