(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-[(2-methylthiazol-4-yl)methylsulfanyl]benzoate CAS Name: 2-[(2-methyl-4-thiazolyl)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-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Traditional Name: 2-[(2-methylthiazol-4-yl)methylthio]benzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C22H20N6O2S2 MolecularWeight: 464.5632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSC2=CC=CC=C2C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

Isomeric SMILES

CC1=NC(=CS1)CSC2=CC=CC=C2C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

InChI

InChI=1S/C22H20N6O2S2/c1-14-24-16(12-31-14)13-32-18-10-6-5-9-17(18)20(29)30-11-19-26-21(23)28-22(27-19)25-15-7-3-2-4-8-15/h2-10,12H,11,13H2,1H3,(H3,23,25,26,27,28)