2-[(4-methylphenyl)methylsulfanyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one Openeye Name: 2-(p-tolylmethylsulfanyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one CAS Name: 2-[(4-methylphenyl)methylthio]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one IUPAC Name: 2-[(4-methylphenyl)methylsulfanyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one Traditional Name: 2-[(4-methylbenzyl)thio]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one Formula: C15H16N2OS MolecularWeight: 272.36534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC(=O)C3=C(N2)CCC3

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC(=O)C3=C(N2)CCC3

InChI

InChI=1S/C15H16N2OS/c1-10-5-7-11(8-6-10)9-19-15-16-13-4-2-3-12(13)14(18)17-15/h5-8H,2-4,9H2,1H3,(H,16,17,18)