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

Systemtic Name: 1-[2-[6-methyl-4-oxidanylidene-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]ethanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-[6-methyl-4-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetyl]piperidine-4-carboxamide CAS Name: 1-[2-[6-methyl-4-oxo-2-(1-phenylethylthio)-1H-pyrimidin-5-yl]-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[6-methyl-4-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetyl]piperidine-4-carboxamide Traditional Name: 1-[2-[4-keto-6-methyl-2-(1-phenylethylthio)-1H-pyrimidin-5-yl]acetyl]isonipecotamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3S/c1-13-17(12-18(26)25-10-8-16(9-11-25)19(22)27)20(28)24-21(23-13)29-14(2)15-6-4-3-5-7-15/h3-7,14,16H,8-12H2,1-2H3,(H2,22,27)(H,23,24,28)