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

Systemtic Name: [4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl (E)-3-thiophen-3-ylprop-2-enoate Openeye Name: [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl (E)-3-(3-thienyl)prop-2-enoate CAS Name: (E)-3-(3-thiophenyl)-2-propenoic 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 (E)-3-thiophen-3-ylprop-2-enoate Traditional Name: (E)-3-(3-thienyl)acrylic acid [4-amino-6-(p-toluidino)-s-triazin-2-yl]methyl ester Formula: C18H17N5O2S MolecularWeight: 367.42488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C=CC3=CSC=C3

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O2S/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/h2-9,11H,10H2,1H3,(H3,19,20,21,22,23)/b7-4+