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

Systemtic Name: [4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 2-thiophen-3-ylethanoate Openeye Name: [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl 2-(3-thienyl)acetate CAS Name: 2-(3-thiophenyl)acetic 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 2-thiophen-3-ylacetate Traditional Name: 2-(3-thienyl)acetic acid [4-amino-6-(p-toluidino)-s-triazin-2-yl]methyl ester Formula: C17H17N5O2S MolecularWeight: 355.41418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5O2S/c1-11-2-4-13(5-3-11)19-17-21-14(20-16(18)22-17)9-24-15(23)8-12-6-7-25-10-12/h2-7,10H,8-9H2,1H3,(H3,18,19,20,21,22)