(2S)-2-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]sulfanyl]-N-(4-methylphenyl)propanamide

Systemtic Name: (2S)-2-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]sulfanyl]-N-(4-methylphenyl)propanamide Openeye Name: (2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(p-tolyl)propanamide CAS Name: (2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)thio]-N-(4-methylphenyl)propanamide IUPAC Name: (2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(4-methylphenyl)propanamide Traditional Name: (2S)-2-[(4,6-diamino-s-triazin-2-yl)thio]-N-(p-tolyl)propionamide Formula: C13H16N6OS MolecularWeight: 304.37074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)SC2=NC(=NC(=N2)N)N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)SC2=NC(=NC(=N2)N)N

InChI

InChI=1S/C13H16N6OS/c1-7-3-5-9(6-4-7)16-10(20)8(2)21-13-18-11(14)17-12(15)19-13/h3-6,8H,1-2H3,(H,16,20)(H4,14,15,17,18,19)/t8-/m0/s1