[4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 4-oxidanylidene-4-thiophen-2-yl-butanoate

Systemtic Name: [4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-4-thiophen-2-ylbutanoic 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 4-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid [4-amino-6-(p-toluidino)-s-triazin-2-yl]methyl ester Formula: C19H19N5O3S MolecularWeight: 397.45086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C19H19N5O3S/c1-12-4-6-13(7-5-12)21-19-23-16(22-18(20)24-19)11-27-17(26)9-8-14(25)15-3-2-10-28-15/h2-7,10H,8-9,11H2,1H3,(H3,20,21,22,23,24)