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

Systemtic Name: [4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 3-thiophen-3-ylpropanoate Openeye Name: [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl 3-(3-thienyl)propanoate CAS Name: 3-(3-thiophenyl)propanoic 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 3-thiophen-3-ylpropanoate Traditional Name: 3-(3-thienyl)propionic acid [4-amino-6-(p-toluidino)-s-triazin-2-yl]methyl ester Formula: C18H19N5O2S MolecularWeight: 369.44076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CCC3=CSC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CCC3=CSC=C3

InChI

InChI=1S/C18H19N5O2S/c1-12-2-5-14(6-3-12)20-18-22-15(21-17(19)23-18)10-25-16(24)7-4-13-8-9-26-11-13/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H3,19,20,21,22,23)