5-chloranyl-2-methylsulfanyl-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-methylsulfanyl-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-methylsulfanyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(methylthio)-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-methylsulfanyl-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[6-(3-ketopiperazino)-3-pyridyl]-2-(methylthio)pyrimidine-4-carboxamide Formula: C15H15ClN6O2S MolecularWeight: 378.8366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3)Cl

InChI

InChI=1S/C15H15ClN6O2S/c1-25-15-19-7-10(16)13(21-15)14(24)20-9-2-3-11(18-6-9)22-5-4-17-12(23)8-22/h2-3,6-7H,4-5,8H2,1H3,(H,17,23)(H,20,24)