(2R)-2-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]sulfanyl]-N-(5-chloranyl-2-methoxy-phenyl)propanamide

Systemtic Name: (2R)-2-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]sulfanyl]-N-(5-chloranyl-2-methoxy-phenyl)propanamide Openeye Name: (2R)-N-(5-chloro-2-methoxy-phenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]propanamide CAS Name: (2R)-N-(5-chloro-2-methoxyphenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)thio]propanamide IUPAC Name: (2R)-N-(5-chloro-2-methoxyphenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]propanamide Traditional Name: (2R)-N-(5-chloro-2-methoxy-phenyl)-2-[(4,6-diamino-s-triazin-2-yl)thio]propionamide Formula: C13H15ClN6O2S MolecularWeight: 354.8152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)SC2=NC(=NC(=N2)N)N

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CC(=C1)Cl)OC)SC2=NC(=NC(=N2)N)N

InChI

InChI=1S/C13H15ClN6O2S/c1-6(23-13-19-11(15)18-12(16)20-13)10(21)17-8-5-7(14)3-4-9(8)22-2/h3-6H,1-2H3,(H,17,21)(H4,15,16,18,19,20)/t6-/m1/s1