5-[(3,4-dimethylphenyl)methyl]-6-methyl-2-propylsulfanyl-1H-pyrimidin-4-one

Systemtic Name: 5-[(3,4-dimethylphenyl)methyl]-6-methyl-2-propylsulfanyl-1H-pyrimidin-4-one Openeye Name: 5-[(3,4-dimethylphenyl)methyl]-6-methyl-2-propylsulfanyl-1H-pyrimidin-4-one CAS Name: 5-[(3,4-dimethylphenyl)methyl]-6-methyl-2-(propylthio)-1H-pyrimidin-4-one IUPAC Name: 5-[(3,4-dimethylphenyl)methyl]-6-methyl-2-propylsulfanyl-1H-pyrimidin-4-one Traditional Name: 5-(3,4-dimethylbenzyl)-6-methyl-2-(propylthio)-1H-pyrimidin-4-one Formula: C17H22N2OS MolecularWeight: 302.43438

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=O)C(=C(N1)C)CC2=CC(=C(C=C2)C)C

Isomeric SMILES

CCCSC1=NC(=O)C(=C(N1)C)CC2=CC(=C(C=C2)C)C

InChI

InChI=1S/C17H22N2OS/c1-5-8-21-17-18-13(4)15(16(20)19-17)10-14-7-6-11(2)12(3)9-14/h6-7,9H,5,8,10H2,1-4H3,(H,18,19,20)