2-butylsulfanyl-5-[(4-methoxyphenyl)methyl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-butylsulfanyl-5-[(4-methoxyphenyl)methyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-butylsulfanyl-5-[(4-methoxyphenyl)methyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-(butylthio)-5-[(4-methoxyphenyl)methyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-butylsulfanyl-5-[(4-methoxyphenyl)methyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-(butylthio)-6-methyl-5-p-anisyl-1H-pyrimidin-4-one Formula: C17H22N2O2S MolecularWeight: 318.43378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=O)C(=C(N1)C)CC2=CC=C(C=C2)OC

Isomeric SMILES

CCCCSC1=NC(=O)C(=C(N1)C)CC2=CC=C(C=C2)OC

InChI

InChI=1S/C17H22N2O2S/c1-4-5-10-22-17-18-12(2)15(16(20)19-17)11-13-6-8-14(21-3)9-7-13/h6-9H,4-5,10-11H2,1-3H3,(H,18,19,20)