5-[8-(4-methylphenyl)-8-oxidanylidene-octyl]sulfanyl-2-(pyrazin-2-ylmethyl)-1H-pyrimidin-6-one

Systemtic Name: 5-[8-(4-methylphenyl)-8-oxidanylidene-octyl]sulfanyl-2-(pyrazin-2-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 5-[8-oxo-8-(p-tolyl)octyl]sulfanyl-2-(pyrazin-2-ylmethyl)-1H-pyrimidin-6-one CAS Name: 5-[[8-(4-methylphenyl)-8-oxooctyl]thio]-2-(2-pyrazinylmethyl)-1H-pyrimidin-6-one IUPAC Name: 5-[8-(4-methylphenyl)-8-oxooctyl]sulfanyl-2-(pyrazin-2-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 5-[[8-keto-8-(p-tolyl)octyl]thio]-2-(pyrazin-2-ylmethyl)-1H-pyrimidin-6-one Formula: C24H28N4O2S MolecularWeight: 436.56972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CCCCCCCSC2=CN=C(NC2=O)CC3=NC=CN=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CCCCCCCSC2=CN=C(NC2=O)CC3=NC=CN=C3

InChI

InChI=1S/C24H28N4O2S/c1-18-8-10-19(11-9-18)21(29)7-5-3-2-4-6-14-31-22-17-27-23(28-24(22)30)15-20-16-25-12-13-26-20/h8-13,16-17H,2-7,14-15H2,1H3,(H,27,28,30)