2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[4-(4-ethanoylpiperazin-1-yl)phenyl]ethanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[4-(4-ethanoylpiperazin-1-yl)phenyl]ethanamide Openeye Name: N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[4-(4-acetyl-1-piperazinyl)phenyl]-2-[(4-amino-5-cyano-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[4-(4-acetylpiperazino)phenyl]-2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]acetamide Formula: C19H21N7O2S MolecularWeight: 411.48074

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C19H21N7O2S/c1-13(27)25-6-8-26(9-7-25)16-4-2-15(3-5-16)23-17(28)12-29-19-22-11-14(10-20)18(21)24-19/h2-5,11H,6-9,12H2,1H3,(H,23,28)(H2,21,22,24)