2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-[(2S)-heptan-2-yl]ethanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-[(2S)-heptan-2-yl]ethanamide Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(1S)-1-methylhexyl]acetamide CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-N-[(2S)-heptan-2-yl]acetamide IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(2S)-heptan-2-yl]acetamide Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-N-[(1S)-1-methylhexyl]acetamide Formula: C13H23N5OS MolecularWeight: 297.41962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CSC1=NC(=CC(=N1)N)N

Isomeric SMILES

CCCCC[C@H](C)NC(=O)CSC1=NC(=CC(=N1)N)N

InChI

InChI=1S/C13H23N5OS/c1-3-4-5-6-9(2)16-12(19)8-20-13-17-10(14)7-11(15)18-13/h7,9H,3-6,8H2,1-2H3,(H,16,19)(H4,14,15,17,18)/t9-/m0/s1