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

Systemtic Name: 2-[8-(4-chlorophenyl)-8-oxidanylidene-octyl]sulfanyl-1-(2-methoxyethyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 2-[8-(4-chlorophenyl)-8-oxo-octyl]sulfanyl-1-(2-methoxyethyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 2-[[8-(4-chlorophenyl)-8-oxooctyl]thio]-1-(2-methoxyethyl)-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 2-[8-(4-chlorophenyl)-8-oxooctyl]sulfanyl-1-(2-methoxyethyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 2-[[8-(4-chlorophenyl)-8-keto-octyl]thio]-1-(2-methoxyethyl)-5-(5-pyrimidylmethyl)pyrimidin-4-one Formula: C26H31ClN4O3S MolecularWeight: 515.06734

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C=C(C(=O)N=C1SCCCCCCCC(=O)C2=CC=C(C=C2)Cl)CC3=CN=CN=C3

Isomeric SMILES

COCCN1C=C(C(=O)N=C1SCCCCCCCC(=O)C2=CC=C(C=C2)Cl)CC3=CN=CN=C3

InChI

InChI=1S/C26H31ClN4O3S/c1-34-13-12-31-18-22(15-20-16-28-19-29-17-20)25(33)30-26(31)35-14-6-4-2-3-5-7-24(32)21-8-10-23(27)11-9-21/h8-11,16-19H,2-7,12-15H2,1H3