3-[(4-tert-butylphenyl)methyl]-2-[(4-tert-butylphenyl)methylsulfanyl]pyrimidin-4-one

Systemtic Name: 3-[(4-tert-butylphenyl)methyl]-2-[(4-tert-butylphenyl)methylsulfanyl]pyrimidin-4-one Openeye Name: 3-[(4-tert-butylphenyl)methyl]-2-[(4-tert-butylphenyl)methylsulfanyl]pyrimidin-4-one CAS Name: 3-[(4-tert-butylphenyl)methyl]-2-[(4-tert-butylphenyl)methylthio]-4-pyrimidinone IUPAC Name: 3-[(4-tert-butylphenyl)methyl]-2-[(4-tert-butylphenyl)methylsulfanyl]pyrimidin-4-one Traditional Name: 3-(4-tert-butylbenzyl)-2-[(4-tert-butylbenzyl)thio]pyrimidin-4-one Formula: C26H32N2OS MolecularWeight: 420.61008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C(=O)C=CN=C2SCC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C(=O)C=CN=C2SCC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C26H32N2OS/c1-25(2,3)21-11-7-19(8-12-21)17-28-23(29)15-16-27-24(28)30-18-20-9-13-22(14-10-20)26(4,5)6/h7-16H,17-18H2,1-6H3