(2S)-2-[4,6-bis(azanyl)-3-cyano-pyridin-2-yl]sulfanyl-N-(4-ethoxyphenyl)propanamide

Systemtic Name: (2S)-2-[4,6-bis(azanyl)-3-cyano-pyridin-2-yl]sulfanyl-N-(4-ethoxyphenyl)propanamide Openeye Name: (2S)-2-[(4,6-diamino-3-cyano-2-pyridyl)sulfanyl]-N-(4-ethoxyphenyl)propanamide CAS Name: (2S)-2-[(4,6-diamino-3-cyano-2-pyridinyl)thio]-N-(4-ethoxyphenyl)propanamide IUPAC Name: (2S)-2-(4,6-diamino-3-cyanopyridin-2-yl)sulfanyl-N-(4-ethoxyphenyl)propanamide Traditional Name: (2S)-2-[(4,6-diamino-3-cyano-2-pyridyl)thio]-N-p-phenetyl-propionamide Formula: C17H19N5O2S MolecularWeight: 357.43006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(C)SC2=C(C(=CC(=N2)N)N)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)[C@H](C)SC2=C(C(=CC(=N2)N)N)C#N

InChI

InChI=1S/C17H19N5O2S/c1-3-24-12-6-4-11(5-7-12)21-16(23)10(2)25-17-13(9-18)14(19)8-15(20)22-17/h4-8,10H,3H2,1-2H3,(H,21,23)(H4,19,20,22)/t10-/m0/s1