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

Systemtic Name: 5-ethyl-6-[[3-[(5-ethyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl)methyl]phenyl]methyl]-2-methylsulfanyl-1H-pyrimidin-4-one Openeye Name: 5-ethyl-6-[[3-[(5-ethyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-6-yl)methyl]phenyl]methyl]-2-methylsulfanyl-1H-pyrimidin-4-one CAS Name: 5-ethyl-6-[[3-[[5-ethyl-2-(methylthio)-4-oxo-1H-pyrimidin-6-yl]methyl]phenyl]methyl]-2-(methylthio)-1H-pyrimidin-4-one IUPAC Name: 5-ethyl-6-[[3-[(5-ethyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-6-yl)methyl]phenyl]methyl]-2-methylsulfanyl-1H-pyrimidin-4-one Traditional Name: 5-ethyl-6-[3-[[5-ethyl-4-keto-2-(methylthio)-1H-pyrimidin-6-yl]methyl]benzyl]-2-(methylthio)-1H-pyrimidin-4-one Formula: C22H26N4O2S2 MolecularWeight: 442.59744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O2S2/c1-5-15-17(23-21(29-3)25-19(15)27)11-13-8-7-9-14(10-13)12-18-16(6-2)20(28)26-22(24-18)30-4/h7-10H,5-6,11-12H2,1-4H3,(H,23,25,27)(H,24,26,28)