3-(6-methyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)-N-[1-(phenylmethyl)piperidin-4-yl]propanamide

Systemtic Name: 3-(6-methyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)-N-[1-(phenylmethyl)piperidin-4-yl]propanamide Openeye Name: N-(1-benzyl-4-piperidyl)-3-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)propanamide CAS Name: 3-[6-methyl-2-(methylthio)-4-oxo-1H-pyrimidin-5-yl]-N-[1-(phenylmethyl)-4-piperidinyl]propanamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-3-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)propanamide Traditional Name: N-(1-benzyl-4-piperidyl)-3-[4-keto-6-methyl-2-(methylthio)-1H-pyrimidin-5-yl]propionamide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC)CCC(=O)NC2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC)CCC(=O)NC2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H28N4O2S/c1-15-18(20(27)24-21(22-15)28-2)8-9-19(26)23-17-10-12-25(13-11-17)14-16-6-4-3-5-7-16/h3-7,17H,8-14H2,1-2H3,(H,23,26)(H,22,24,27)