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

Systemtic Name: [4-azanyl-6-[(2-methoxyphenyl)amino]-1,3,5-triazin-2-yl]methyl 2-thiophen-2-ylcarbonylbenzoate Openeye Name: [4-amino-6-(2-methoxyanilino)-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-methoxyanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl 2-(thiophene-2-carbonyl)benzoate Traditional Name: 2-(2-thenoyl)benzoic acid [4-amino-6-(o-anisidino)-s-triazin-2-yl]methyl ester Formula: C23H19N5O4S MolecularWeight: 461.49306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=CC=CC=C3C(=O)C4=CC=CS4

Isomeric SMILES

COC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=CC=CC=C3C(=O)C4=CC=CS4

InChI

InChI=1S/C23H19N5O4S/c1-31-17-10-5-4-9-16(17)25-23-27-19(26-22(24)28-23)13-32-21(30)15-8-3-2-7-14(15)20(29)18-11-6-12-33-18/h2-12H,13H2,1H3,(H3,24,25,26,27,28)