1-[2-[2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-[2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetyl]piperidine-4-carboxamide CAS Name: 1-[2-[2-[(3-chlorophenyl)methylthio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetyl]piperidine-4-carboxamide Traditional Name: 1-[2-[2-[(3-chlorobenzyl)thio]-4-keto-6-methyl-1H-pyrimidin-5-yl]acetyl]isonipecotamide Formula: C20H23ClN4O3S MolecularWeight: 434.93962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC(=CC=C2)Cl)CC(=O)N3CCC(CC3)C(=O)N

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC(=CC=C2)Cl)CC(=O)N3CCC(CC3)C(=O)N

InChI

InChI=1S/C20H23ClN4O3S/c1-12-16(10-17(26)25-7-5-14(6-8-25)18(22)27)19(28)24-20(23-12)29-11-13-3-2-4-15(21)9-13/h2-4,9,14H,5-8,10-11H2,1H3,(H2,22,27)(H,23,24,28)