5-chloranyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-2-propylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-2-propylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[4-[[(3R)-3-methyl-1-piperidyl]sulfonyl]phenyl]-2-propylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[4-[[(3R)-3-methyl-1-piperidinyl]sulfonyl]phenyl]-2-(propylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-2-propylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[4-[(3R)-3-methylpiperidino]sulfonylphenyl]-2-(propylthio)pyrimidine-4-carboxamide Formula: C20H25ClN4O3S2 MolecularWeight: 469.0205

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC(C3)C)Cl

Isomeric SMILES

CCCSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCC[C@H](C3)C)Cl

InChI

InChI=1S/C20H25ClN4O3S2/c1-3-11-29-20-22-12-17(21)18(24-20)19(26)23-15-6-8-16(9-7-15)30(27,28)25-10-4-5-14(2)13-25/h6-9,12,14H,3-5,10-11,13H2,1-2H3,(H,23,26)/t14-/m1/s1