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

Systemtic Name: 2-[8-(4-chlorophenyl)-8-oxidanylidene-octyl]sulfanyl-5-(pyrimidin-5-ylmethyl)-1-(thiophen-2-ylmethyl)pyrimidin-4-one Openeye Name: 2-[8-(4-chlorophenyl)-8-oxo-octyl]sulfanyl-5-(pyrimidin-5-ylmethyl)-1-(2-thienylmethyl)pyrimidin-4-one CAS Name: 2-[[8-(4-chlorophenyl)-8-oxooctyl]thio]-5-(5-pyrimidinylmethyl)-1-(thiophen-2-ylmethyl)-4-pyrimidinone IUPAC Name: 2-[8-(4-chlorophenyl)-8-oxooctyl]sulfanyl-5-(pyrimidin-5-ylmethyl)-1-(thiophen-2-ylmethyl)pyrimidin-4-one Traditional Name: 2-[[8-(4-chlorophenyl)-8-keto-octyl]thio]-5-(5-pyrimidylmethyl)-1-(2-thenyl)pyrimidin-4-one Formula: C28H29ClN4O2S2 MolecularWeight: 553.13846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29ClN4O2S2/c29-24-11-9-22(10-12-24)26(34)8-4-2-1-3-5-13-37-28-32-27(35)23(15-21-16-30-20-31-17-21)18-33(28)19-25-7-6-14-36-25/h6-7,9-12,14,16-18,20H,1-5,8,13,15,19H2