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

Systemtic Name: [4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl (E)-3-phenylsulfanylprop-2-enoate Openeye Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl (E)-3-phenylsulfanylprop-2-enoate CAS Name: (E)-3-(phenylthio)-2-propenoic acid (4,6-diamino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl (E)-3-phenylsulfanylprop-2-enoate Traditional Name: (E)-3-(phenylthio)acrylic acid (4,6-diamino-s-triazin-2-yl)methyl ester Formula: C13H13N5O2S MolecularWeight: 303.33962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)S/C=C/C(=O)OCC2=NC(=NC(=N2)N)N

InChI

InChI=1S/C13H13N5O2S/c14-12-16-10(17-13(15)18-12)8-20-11(19)6-7-21-9-4-2-1-3-5-9/h1-7H,8H2,(H4,14,15,16,17,18)/b7-6+