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

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-[4-(2-oxo-1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-[4-(2-ketopyrrolidino)phenyl]acetamide Formula: C17H16N6O2S MolecularWeight: 368.41294

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)NC(=O)CSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)NC(=O)CSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C17H16N6O2S/c18-8-11-9-20-17(22-16(11)19)26-10-14(24)21-12-3-5-13(6-4-12)23-7-1-2-15(23)25/h3-6,9H,1-2,7,10H2,(H,21,24)(H2,19,20,22)