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

Systemtic Name: [4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 3-phenylsulfanylpropanoate Openeye Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid (4,6-diamino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid (4,6-diamino-s-triazin-2-yl)methyl ester Formula: C13H15N5O2S MolecularWeight: 305.3555

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N5O2S/c14-12-16-10(17-13(15)18-12)8-20-11(19)6-7-21-9-4-2-1-3-5-9/h1-5H,6-8H2,(H4,14,15,16,17,18)