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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-(thiophen-2-ylsulfonylamino)propanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-(2-thienylsulfonylamino)propanoate CAS Name: 3-(thiophen-2-ylsulfonylamino)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-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-thienylsulfonylamino)propionic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C17H18N6O4S2 MolecularWeight: 434.49262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CCNS(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CCNS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H18N6O4S2/c18-16-21-13(22-17(23-16)20-12-5-2-1-3-6-12)11-27-14(24)8-9-19-29(25,26)15-7-4-10-28-15/h1-7,10,19H,8-9,11H2,(H3,18,20,21,22,23)