2-[[3-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]-6-propyl-1H-pyrimidin-4-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=CC(=CC=C2)CSC3=NC(=O)C=C(N3)CCC

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=CC(=CC=C2)CSC3=NC(=O)C=C(N3)CCC

InChI

InChI=1S/C22H26N4O2S2/c1-3-6-17-11-19(27)25-21(23-17)29-13-15-8-5-9-16(10-15)14-30-22-24-18(7-4-2)12-20(28)26-22/h5,8-12H,3-4,6-7,13-14H2,1-2H3,(H,23,25,27)(H,24,26,28)