[4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 2-phenylsulfanylethanoate

Systemtic Name: [4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 2-phenylsulfanylethanoate Openeye Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid (4,6-diamino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid (4,6-diamino-s-triazin-2-yl)methyl ester Formula: C12H13N5O2S MolecularWeight: 291.32892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC(=O)OCC2=NC(=NC(=N2)N)N

Isomeric SMILES

C1=CC=C(C=C1)SCC(=O)OCC2=NC(=NC(=N2)N)N

InChI

InChI=1S/C12H13N5O2S/c13-11-15-9(16-12(14)17-11)6-19-10(18)7-20-8-4-2-1-3-5-8/h1-5H,6-7H2,(H4,13,14,15,16,17)