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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-(thiophen-2-ylsulfonylamino)ethanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(2-thienylsulfonylamino)acetate CAS Name: 2-(thiophen-2-ylsulfonylamino)acetic 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 2-(thiophen-2-ylsulfonylamino)acetate Traditional Name: 2-(2-thienylsulfonylamino)acetic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C16H16N6O4S2 MolecularWeight: 420.46604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N6O4S2/c17-15-20-12(21-16(22-15)19-11-5-2-1-3-6-11)10-26-13(23)9-18-28(24,25)14-7-4-8-27-14/h1-8,18H,9-10H2,(H3,17,19,20,21,22)