3-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]propanamide

Systemtic Name: 3-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]propanamide Openeye Name: 3-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide CAS Name: 3-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-[4-(2-oxo-1-pyrrolidinyl)phenyl]propanamide IUPAC Name: 3-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide Traditional Name: 3-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-[4-(2-ketopyrrolidino)phenyl]propionamide Formula: C18H18N6O2S MolecularWeight: 382.43952

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)NC(=O)CCSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)NC(=O)CCSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C18H18N6O2S/c19-10-12-11-21-18(23-17(12)20)27-9-7-15(25)22-13-3-5-14(6-4-13)24-8-1-2-16(24)26/h3-6,11H,1-2,7-9H2,(H,22,25)(H2,20,21,23)