2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-1H-pyrimidin-6-one

Systemtic Name: 2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-1H-pyrimidin-6-one Openeye Name: 2-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-1H-pyrimidin-6-one CAS Name: 2-[[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]-1H-pyrimidin-6-one IUPAC Name: 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one Traditional Name: 2-[[2-(4-benzylpiperidino)-2-keto-ethyl]thio]-1H-pyrimidin-6-one Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=NC=CC(=O)N3

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=NC=CC(=O)N3

InChI

InChI=1S/C18H21N3O2S/c22-16-6-9-19-18(20-16)24-13-17(23)21-10-7-15(8-11-21)12-14-4-2-1-3-5-14/h1-6,9,15H,7-8,10-13H2,(H,19,20,22)