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

Systemtic Name: [4-azanyl-6-[(2-methoxyphenyl)amino]-1,3,5-triazin-2-yl]methyl 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-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 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [4-amino-6-(o-anisidino)-s-triazin-2-yl]methyl ester Formula: C20H16ClN5O3S MolecularWeight: 441.89074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

COC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C20H16ClN5O3S/c1-28-13-8-4-3-7-12(13)23-20-25-15(24-19(22)26-20)10-29-18(27)17-16(21)11-6-2-5-9-14(11)30-17/h2-9H,10H2,1H3,(H3,22,23,24,25,26)