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

Systemtic Name: (2S)-2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(4-ethylphenyl)propanamide Openeye Name: (2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-ethylphenyl)propanamide CAS Name: (2S)-2-[(4,6-diamino-2-pyrimidinyl)thio]-N-(4-ethylphenyl)propanamide IUPAC Name: (2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-ethylphenyl)propanamide Traditional Name: (2S)-2-[(4,6-diaminopyrimidin-2-yl)thio]-N-(4-ethylphenyl)propionamide Formula: C15H19N5OS MolecularWeight: 317.40926

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=NC(=CC(=N2)N)N

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)SC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C15H19N5OS/c1-3-10-4-6-11(7-5-10)18-14(21)9(2)22-15-19-12(16)8-13(17)20-15/h4-9H,3H2,1-2H3,(H,18,21)(H4,16,17,19,20)/t9-/m0/s1