5-[(3,4-dimethylphenyl)methyl]-6-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 5-[(3,4-dimethylphenyl)methyl]-6-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 5-[(3,4-dimethylphenyl)methyl]-6-methyl-2-(tetralin-6-ylmethylsulfanyl)-1H-pyrimidin-4-one CAS Name: 5-[(3,4-dimethylphenyl)methyl]-6-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 5-[(3,4-dimethylphenyl)methyl]-6-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethylsulfanyl)-1H-pyrimidin-4-one Traditional Name: 5-(3,4-dimethylbenzyl)-6-methyl-2-(tetralin-6-ylmethylthio)-1H-pyrimidin-4-one Formula: C25H28N2OS MolecularWeight: 404.56762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC2=C(NC(=NC2=O)SCC3=CC4=C(CCCC4)C=C3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)CC2=C(NC(=NC2=O)SCC3=CC4=C(CCCC4)C=C3)C)C

InChI

InChI=1S/C25H28N2OS/c1-16-8-9-19(12-17(16)2)14-23-18(3)26-25(27-24(23)28)29-15-20-10-11-21-6-4-5-7-22(21)13-20/h8-13H,4-7,14-15H2,1-3H3,(H,26,27,28)