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

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(3-ethanoylphenyl)ethanamide Openeye Name: N-(3-acetylphenyl)-2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(3-acetylphenyl)-2-[(4-amino-5-cyano-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(3-acetylphenyl)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(3-acetylphenyl)-2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]acetamide Formula: C15H13N5O2S MolecularWeight: 327.36102

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C15H13N5O2S/c1-9(21)10-3-2-4-12(5-10)19-13(22)8-23-15-18-7-11(6-16)14(17)20-15/h2-5,7H,8H2,1H3,(H,19,22)(H2,17,18,20)