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

Systemtic Name: methyl 5-[[4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methylsulfanylmethyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanylmethyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylthio]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanylmethyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[[4-amino-6-(o-toluidino)-s-triazin-2-yl]methylthio]methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C19H21N5O3S MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSCC3=CC(=C(O3)C)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSCC3=CC(=C(O3)C)C(=O)OC

InChI

InChI=1S/C19H21N5O3S/c1-11-6-4-5-7-15(11)21-19-23-16(22-18(20)24-19)10-28-9-13-8-14(12(2)27-13)17(25)26-3/h4-8H,9-10H2,1-3H3,(H3,20,21,22,23,24)