5-chloranyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-prop-2-enylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-prop-2-enylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 2-allylsulfanyl-5-chloro-N-[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-2-(prop-2-enylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-prop-2-enylsulfanylpyrimidine-4-carboxamide Traditional Name: 2-(allylthio)-5-chloro-N-[4-(4-methylpiperidino)sulfonylphenyl]pyrimidine-4-carboxamide Formula: C20H23ClN4O3S2 MolecularWeight: 467.00462

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NC(=NC=C3Cl)SCC=C

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NC(=NC=C3Cl)SCC=C

InChI

InChI=1S/C20H23ClN4O3S2/c1-3-12-29-20-22-13-17(21)18(24-20)19(26)23-15-4-6-16(7-5-15)30(27,28)25-10-8-14(2)9-11-25/h3-7,13-14H,1,8-12H2,2H3,(H,23,26)