2-[8-(4-chlorophenyl)-8-oxidanylidene-octyl]sulfanyl-1-(3-methoxypropyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one

Systemtic Name: 2-[8-(4-chlorophenyl)-8-oxidanylidene-octyl]sulfanyl-1-(3-methoxypropyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 2-[8-(4-chlorophenyl)-8-oxo-octyl]sulfanyl-1-(3-methoxypropyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 2-[[8-(4-chlorophenyl)-8-oxooctyl]thio]-1-(3-methoxypropyl)-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 2-[8-(4-chlorophenyl)-8-oxooctyl]sulfanyl-1-(3-methoxypropyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 2-[[8-(4-chlorophenyl)-8-keto-octyl]thio]-1-(3-methoxypropyl)-5-(5-pyrimidylmethyl)pyrimidin-4-one Formula: C27H33ClN4O3S MolecularWeight: 529.09392

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C=C(C(=O)N=C1SCCCCCCCC(=O)C2=CC=C(C=C2)Cl)CC3=CN=CN=C3

Isomeric SMILES

COCCCN1C=C(C(=O)N=C1SCCCCCCCC(=O)C2=CC=C(C=C2)Cl)CC3=CN=CN=C3

InChI

InChI=1S/C27H33ClN4O3S/c1-35-14-7-13-32-19-23(16-21-17-29-20-30-18-21)26(34)31-27(32)36-15-6-4-2-3-5-8-25(33)22-9-11-24(28)12-10-22/h9-12,17-20H,2-8,13-16H2,1H3