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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-methyl-5-methylsulfonyl-benzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-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 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic 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:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

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