6-[(4-chlorophenyl)methyl]-5-ethyl-2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 6-[(4-chlorophenyl)methyl]-5-ethyl-2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 6-[(4-chlorophenyl)methyl]-5-ethyl-2-[2-(1-piperidyl)ethylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-[(4-chlorophenyl)methyl]-5-ethyl-2-[2-(1-piperidinyl)ethylthio]-1H-pyrimidin-4-one IUPAC Name: 6-[(4-chlorophenyl)methyl]-5-ethyl-2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidin-4-one Traditional Name: 6-(4-chlorobenzyl)-5-ethyl-2-(2-piperidinoethylthio)-1H-pyrimidin-4-one Formula: C20H26ClN3OS MolecularWeight: 391.95794

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)SCCN2CCCCC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCC1=C(NC(=NC1=O)SCCN2CCCCC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H26ClN3OS/c1-2-17-18(14-15-6-8-16(21)9-7-15)22-20(23-19(17)25)26-13-12-24-10-4-3-5-11-24/h6-9H,2-5,10-14H2,1H3,(H,22,23,25)