(2R)-2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(3-ethanoylphenyl)propanamide

Systemtic Name: (2R)-2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(3-ethanoylphenyl)propanamide Openeye Name: (2R)-N-(3-acetylphenyl)-2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-(3-acetylphenyl)-2-[(4-amino-5-cyano-2-pyrimidinyl)thio]propanamide IUPAC Name: (2R)-N-(3-acetylphenyl)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylpropanamide Traditional Name: (2R)-N-(3-acetylphenyl)-2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]propionamide Formula: C16H15N5O2S MolecularWeight: 341.3876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N5O2S/c1-9(22)11-4-3-5-13(6-11)20-15(23)10(2)24-16-19-8-12(7-17)14(18)21-16/h3-6,8,10H,1-2H3,(H,20,23)(H2,18,19,21)/t10-/m1/s1