[4-azanyl-6-[(2-methoxyphenyl)amino]-1,3,5-triazin-2-yl]methyl 2,3-dihydro-1-benzothiophene-2-carboxylate

Systemtic Name: [4-azanyl-6-[(2-methoxyphenyl)amino]-1,3,5-triazin-2-yl]methyl 2,3-dihydro-1-benzothiophene-2-carboxylate Openeye Name: [4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl 2,3-dihydrobenzothiophene-2-carboxylate CAS Name: 2,3-dihydro-1-benzothiophene-2-carboxylic 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 2,3-dihydro-1-benzothiophene-2-carboxylate Traditional Name: 2,3-dihydrobenzothiophene-2-carboxylic acid [4-amino-6-(o-anisidino)-s-triazin-2-yl]methyl ester Formula: C20H19N5O3S MolecularWeight: 409.46156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3CC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3CC4=CC=CC=C4S3

InChI

InChI=1S/C20H19N5O3S/c1-27-14-8-4-3-7-13(14)22-20-24-17(23-19(21)25-20)11-28-18(26)16-10-12-6-2-5-9-15(12)29-16/h2-9,16H,10-11H2,1H3,(H3,21,22,23,24,25)