(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-thiophen-3-ylpropanoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-thiophen-3-ylpropanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-(3-thienyl)propanoate CAS Name: 3-(3-thiophenyl)propanoic acid (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-thiophen-3-ylpropanoate Traditional Name: 3-(3-thienyl)propionic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C17H17N5O2S MolecularWeight: 355.41418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5O2S/c18-16-20-14(10-24-15(23)7-6-12-8-9-25-11-12)21-17(22-16)19-13-4-2-1-3-5-13/h1-5,8-9,11H,6-7,10H2,(H3,18,19,20,21,22)