5-(2-cyclopentylsulfanylethyl)-4-oxidanyl-2-(phenylmethyl)-1H-pyrimidin-6-one

Systemtic Name: 5-(2-cyclopentylsulfanylethyl)-4-oxidanyl-2-(phenylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-benzyl-5-(2-cyclopentylsulfanylethyl)-4-hydroxy-1H-pyrimidin-6-one CAS Name: 5-[2-(cyclopentylthio)ethyl]-4-hydroxy-2-(phenylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-benzyl-5-(2-cyclopentylsulfanylethyl)-4-hydroxy-1H-pyrimidin-6-one Traditional Name: 2-benzyl-5-[2-(cyclopentylthio)ethyl]-4-hydroxy-1H-pyrimidin-6-one Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)SCCC2=C(N=C(NC2=O)CC3=CC=CC=C3)O

Isomeric SMILES

C1CCC(C1)SCCC2=C(N=C(NC2=O)CC3=CC=CC=C3)O

InChI

InChI=1S/C18H22N2O2S/c21-17-15(10-11-23-14-8-4-5-9-14)18(22)20-16(19-17)12-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H2,19,20,21,22)