[4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl (2R)-2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: [4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl (2R)-2-benzamido-4-methylsulfanyl-butanoate Openeye Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl (2R)-2-benzamido-4-methylsulfanyl-butanoate CAS Name: (2R)-2-benzamido-4-(methylthio)butanoic acid (4,6-diamino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl (2R)-2-benzamido-4-methylsulfanylbutanoate Traditional Name: (2R)-2-benzamido-4-(methylthio)butyric acid (4,6-diamino-s-triazin-2-yl)methyl ester Formula: C16H20N6O3S MolecularWeight: 376.4334

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1=NC(=NC(=N1)N)N)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CSCC[C@H](C(=O)OCC1=NC(=NC(=N1)N)N)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H20N6O3S/c1-26-8-7-11(19-13(23)10-5-3-2-4-6-10)14(24)25-9-12-20-15(17)22-16(18)21-12/h2-6,11H,7-9H2,1H3,(H,19,23)(H4,17,18,20,21,22)/t11-/m1/s1