5-chloranyl-N-(4-piperidin-1-ylsulfonylphenyl)-2-prop-2-enylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(4-piperidin-1-ylsulfonylphenyl)-2-prop-2-enylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 2-allylsulfanyl-5-chloro-N-[4-(1-piperidylsulfonyl)phenyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[4-(1-piperidinylsulfonyl)phenyl]-2-(prop-2-enylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(4-piperidin-1-ylsulfonylphenyl)-2-prop-2-enylsulfanylpyrimidine-4-carboxamide Traditional Name: 2-(allylthio)-5-chloro-N-(4-piperidinosulfonylphenyl)pyrimidine-4-carboxamide Formula: C19H21ClN4O3S2 MolecularWeight: 452.97804

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)Cl

Isomeric SMILES

C=CCSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)Cl

InChI

InChI=1S/C19H21ClN4O3S2/c1-2-12-28-19-21-13-16(20)17(23-19)18(25)22-14-6-8-15(9-7-14)29(26,27)24-10-4-3-5-11-24/h2,6-9,13H,1,3-5,10-12H2,(H,22,25)