5-(2-cyclopentylsulfanylethyl)-2-[(2,4-dimethylphenyl)methyl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 5-(2-cyclopentylsulfanylethyl)-2-[(2,4-dimethylphenyl)methyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 5-(2-cyclopentylsulfanylethyl)-2-[(2,4-dimethylphenyl)methyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[2-(cyclopentylthio)ethyl]-2-[(2,4-dimethylphenyl)methyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 5-(2-cyclopentylsulfanylethyl)-2-[(2,4-dimethylphenyl)methyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-[2-(cyclopentylthio)ethyl]-2-(2,4-dimethylbenzyl)-6-methyl-1H-pyrimidin-4-one Formula: C21H28N2OS MolecularWeight: 356.52482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CC2=NC(=O)C(=C(N2)C)CCSC3CCCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)CC2=NC(=O)C(=C(N2)C)CCSC3CCCC3)C

InChI

InChI=1S/C21H28N2OS/c1-14-8-9-17(15(2)12-14)13-20-22-16(3)19(21(24)23-20)10-11-25-18-6-4-5-7-18/h8-9,12,18H,4-7,10-11,13H2,1-3H3,(H,22,23,24)