2-butan-2-ylsulfanyl-6-[[3-[(2-butan-2-ylsulfanyl-5-ethyl-4-oxidanylidene-1H-pyrimidin-6-yl)methyl]phenyl]methyl]-5-ethyl-1H-pyrimidin-4-one

Systemtic Name: 2-butan-2-ylsulfanyl-6-[[3-[(2-butan-2-ylsulfanyl-5-ethyl-4-oxidanylidene-1H-pyrimidin-6-yl)methyl]phenyl]methyl]-5-ethyl-1H-pyrimidin-4-one Openeye Name: 5-ethyl-6-[[3-[(5-ethyl-4-oxo-2-sec-butylsulfanyl-1H-pyrimidin-6-yl)methyl]phenyl]methyl]-2-sec-butylsulfanyl-1H-pyrimidin-4-one CAS Name: 2-(butan-2-ylthio)-6-[[3-[[2-(butan-2-ylthio)-5-ethyl-4-oxo-1H-pyrimidin-6-yl]methyl]phenyl]methyl]-5-ethyl-1H-pyrimidin-4-one IUPAC Name: 2-butan-2-ylsulfanyl-6-[[3-[(2-butan-2-ylsulfanyl-5-ethyl-4-oxo-1H-pyrimidin-6-yl)methyl]phenyl]methyl]-5-ethyl-1H-pyrimidin-4-one Traditional Name: 5-ethyl-6-[3-[[5-ethyl-4-keto-2-(sec-butylthio)-1H-pyrimidin-6-yl]methyl]benzyl]-2-(sec-butylthio)-1H-pyrimidin-4-one Formula: C28H38N4O2S2 MolecularWeight: 526.75692

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)SC(C)CC)CC2=CC(=CC=C2)CC3=C(C(=O)N=C(N3)SC(C)CC)CC

Isomeric SMILES

CCC1=C(NC(=NC1=O)SC(C)CC)CC2=CC(=CC=C2)CC3=C(C(=O)N=C(N3)SC(C)CC)CC

InChI

InChI=1S/C28H38N4O2S2/c1-7-17(5)35-27-29-23(21(9-3)25(33)31-27)15-19-12-11-13-20(14-19)16-24-22(10-4)26(34)32-28(30-24)36-18(6)8-2/h11-14,17-18H,7-10,15-16H2,1-6H3,(H,29,31,33)(H,30,32,34)