2-[(3-methylphenyl)methylsulfanyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

Systemtic Name: 2-[(3-methylphenyl)methylsulfanyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one Openeye Name: 2-(m-tolylmethylsulfanyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one CAS Name: 2-[(3-methylphenyl)methylthio]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one IUPAC Name: 2-[(3-methylphenyl)methylsulfanyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one Traditional Name: 2-[(3-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(=CC=C1)CSC2=NC(=O)C3=C(N2)CCC3

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2OS/c1-10-4-2-5-11(8-10)9-19-15-16-13-7-3-6-12(13)14(18)17-15/h2,4-5,8H,3,6-7,9H2,1H3,(H,16,17,18)