2-cyclopentylsulfanyl-6-[(3-methylphenyl)methyl]-1H-pyrimidin-4-one

Systemtic Name: 2-cyclopentylsulfanyl-6-[(3-methylphenyl)methyl]-1H-pyrimidin-4-one Openeye Name: 2-cyclopentylsulfanyl-6-(m-tolylmethyl)-1H-pyrimidin-4-one CAS Name: 2-(cyclopentylthio)-6-[(3-methylphenyl)methyl]-1H-pyrimidin-4-one IUPAC Name: 2-cyclopentylsulfanyl-6-[(3-methylphenyl)methyl]-1H-pyrimidin-4-one Traditional Name: 2-(cyclopentylthio)-6-(3-methylbenzyl)-1H-pyrimidin-4-one Formula: C17H20N2OS MolecularWeight: 300.4185

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC2=CC(=O)N=C(N2)SC3CCCC3

Isomeric SMILES

CC1=CC(=CC=C1)CC2=CC(=O)N=C(N2)SC3CCCC3

InChI

InChI=1S/C17H20N2OS/c1-12-5-4-6-13(9-12)10-14-11-16(20)19-17(18-14)21-15-7-2-3-8-15/h4-6,9,11,15H,2-3,7-8,10H2,1H3,(H,18,19,20)