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

Systemtic Name: [4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 1-benzothiophene-2-carboxylate Openeye Name: [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl benzothiophene-2-carboxylate CAS Name: 1-benzothiophene-2-carboxylic acid [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl 1-benzothiophene-2-carboxylate Traditional Name: benzothiophene-2-carboxylic acid [4-amino-6-(p-toluidino)-s-triazin-2-yl]methyl ester Formula: C20H17N5O2S MolecularWeight: 391.44628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C20H17N5O2S/c1-12-6-8-14(9-7-12)22-20-24-17(23-19(21)25-20)11-27-18(26)16-10-13-4-2-3-5-15(13)28-16/h2-10H,11H2,1H3,(H3,21,22,23,24,25)