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

Systemtic Name: [4-azanyl-6-[(2-methoxyphenyl)amino]-1,3,5-triazin-2-yl]methyl 4-thiophen-2-ylbutanoate Openeye Name: [4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl 4-(2-thienyl)butanoate CAS Name: 4-thiophen-2-ylbutanoic 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 4-thiophen-2-ylbutanoate Traditional Name: 4-(2-thienyl)butyric acid [4-amino-6-(o-anisidino)-s-triazin-2-yl]methyl ester Formula: C19H21N5O3S MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)CCCC3=CC=CS3

Isomeric SMILES

COC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)CCCC3=CC=CS3

InChI

InChI=1S/C19H21N5O3S/c1-26-15-9-3-2-8-14(15)21-19-23-16(22-18(20)24-19)12-27-17(25)10-4-6-13-7-5-11-28-13/h2-3,5,7-9,11H,4,6,10,12H2,1H3,(H3,20,21,22,23,24)