5-chloranyl-2-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(ethylthio)-N-[3-(1-imidazolyl)propyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(ethylthio)-N-(3-imidazol-1-ylpropyl)pyrimidine-4-carboxamide Formula: C13H16ClN5OS MolecularWeight: 325.81704

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(C(=N1)C(=O)NCCCN2C=CN=C2)Cl

Isomeric SMILES

CCSC1=NC=C(C(=N1)C(=O)NCCCN2C=CN=C2)Cl

InChI

InChI=1S/C13H16ClN5OS/c1-2-21-13-17-8-10(14)11(18-13)12(20)16-4-3-6-19-7-5-15-9-19/h5,7-9H,2-4,6H2,1H3,(H,16,20)