(2S)-2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(4-ethoxyphenyl)propanamide

Systemtic Name: (2S)-2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(4-ethoxyphenyl)propanamide Openeye Name: (2S)-2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-(4-ethoxyphenyl)propanamide CAS Name: (2S)-2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-(4-ethoxyphenyl)propanamide IUPAC Name: (2S)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(4-ethoxyphenyl)propanamide Traditional Name: (2S)-2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-p-phenetyl-propionamide Formula: C16H17N5O2S MolecularWeight: 343.40348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O2S/c1-3-23-13-6-4-12(5-7-13)20-15(22)10(2)24-16-19-9-11(8-17)14(18)21-16/h4-7,9-10H,3H2,1-2H3,(H,20,22)(H2,18,19,21)/t10-/m0/s1