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

Systemtic Name: 2-[8-(4-chlorophenyl)-8-oxidanylidene-octyl]sulfanyl-1-(phenylmethyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 1-benzyl-2-[8-(4-chlorophenyl)-8-oxo-octyl]sulfanyl-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 2-[[8-(4-chlorophenyl)-8-oxooctyl]thio]-1-(phenylmethyl)-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 1-benzyl-2-[8-(4-chlorophenyl)-8-oxooctyl]sulfanyl-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 1-benzyl-2-[[8-(4-chlorophenyl)-8-keto-octyl]thio]-5-(5-pyrimidylmethyl)pyrimidin-4-one Formula: C30H31ClN4O2S MolecularWeight: 547.11074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=O)N=C2SCCCCCCCC(=O)C3=CC=C(C=C3)Cl)CC4=CN=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=O)N=C2SCCCCCCCC(=O)C3=CC=C(C=C3)Cl)CC4=CN=CN=C4

InChI

InChI=1S/C30H31ClN4O2S/c31-27-14-12-25(13-15-27)28(36)11-7-2-1-3-8-16-38-30-34-29(37)26(17-24-18-32-22-33-19-24)21-35(30)20-23-9-5-4-6-10-23/h4-6,9-10,12-15,18-19,21-22H,1-3,7-8,11,16-17,20H2