4-methyl-6-methylsulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)-2-propan-2-yl-pyrimidine-5-carboxamide

Systemtic Name: 4-methyl-6-methylsulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)-2-propan-2-yl-pyrimidine-5-carboxamide Openeye Name: 2-isopropyl-4-methyl-6-methylsulfanyl-N-[3-(1-piperidylsulfonyl)phenyl]pyrimidine-5-carboxamide CAS Name: 4-methyl-6-(methylthio)-N-[3-(1-piperidinylsulfonyl)phenyl]-2-propan-2-yl-5-pyrimidinecarboxamide IUPAC Name: 4-methyl-6-methylsulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)-2-propan-2-ylpyrimidine-5-carboxamide Traditional Name: 2-isopropyl-4-methyl-6-(methylthio)-N-(3-piperidinosulfonylphenyl)pyrimidine-5-carboxamide Formula: C21H28N4O3S2 MolecularWeight: 448.60202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C(C)C)SC)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C(=NC(=N1)C(C)C)SC)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H28N4O3S2/c1-14(2)19-22-15(3)18(21(24-19)29-4)20(26)23-16-9-8-10-17(13-16)30(27,28)25-11-6-5-7-12-25/h8-10,13-14H,5-7,11-12H2,1-4H3,(H,23,26)