(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl (2R)-2-phenylsulfanylpropanoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl (2R)-2-phenylsulfanylpropanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl (2R)-2-phenylsulfanylpropanoate CAS Name: (2R)-2-(phenylthio)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 (2R)-2-phenylsulfanylpropanoate Traditional Name: (2R)-2-(phenylthio)propionic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C19H19N5O2S MolecularWeight: 381.45146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=NC(=NC(=N1)NC2=CC=CC=C2)N)SC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)OCC1=NC(=NC(=N1)NC2=CC=CC=C2)N)SC3=CC=CC=C3

InChI

InChI=1S/C19H19N5O2S/c1-13(27-15-10-6-3-7-11-15)17(25)26-12-16-22-18(20)24-19(23-16)21-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3,(H3,20,21,22,23,24)/t13-/m1/s1