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

Systemtic Name: 2-[8-(4-chlorophenyl)-8-oxidanylidene-octyl]sulfanyl-5-(pyrazin-2-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-[8-(4-chlorophenyl)-8-oxo-octyl]sulfanyl-5-(pyrazin-2-ylmethyl)-1H-pyrimidin-6-one CAS Name: 2-[[8-(4-chlorophenyl)-8-oxooctyl]thio]-5-(2-pyrazinylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-[8-(4-chlorophenyl)-8-oxooctyl]sulfanyl-5-(pyrazin-2-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-[[8-(4-chlorophenyl)-8-keto-octyl]thio]-5-(pyrazin-2-ylmethyl)-1H-pyrimidin-6-one Formula: C23H25ClN4O2S MolecularWeight: 456.9882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CCCCCCCSC2=NC=C(C(=O)N2)CC3=NC=CN=C3)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)CCCCCCCSC2=NC=C(C(=O)N2)CC3=NC=CN=C3)Cl

InChI

InChI=1S/C23H25ClN4O2S/c24-19-9-7-17(8-10-19)21(29)6-4-2-1-3-5-13-31-23-27-15-18(22(30)28-23)14-20-16-25-11-12-26-20/h7-12,15-16H,1-6,13-14H2,(H,27,28,30)