[4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 2-thiophen-2-ylcarbonylbenzoate

Systemtic Name: [4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 2-thiophen-2-ylcarbonylbenzoate Openeye Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-(thiophene-2-carbonyl)benzoate CAS Name: 2-[oxo(thiophen-2-yl)methyl]benzoic acid [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-(thiophene-2-carbonyl)benzoate Traditional Name: 2-(2-thenoyl)benzoic acid [4-amino-6-(o-toluidino)-s-triazin-2-yl]methyl ester Formula: C23H19N5O3S MolecularWeight: 445.49366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=CC=CC=C3C(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=CC=CC=C3C(=O)C4=CC=CS4

InChI

InChI=1S/C23H19N5O3S/c1-14-7-2-5-10-17(14)25-23-27-19(26-22(24)28-23)13-31-21(30)16-9-4-3-8-15(16)20(29)18-11-6-12-32-18/h2-12H,13H2,1H3,(H3,24,25,26,27,28)