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

Systemtic Name: 2-[8-(4-chlorophenyl)-8-oxidanylidene-octyl]sulfanyl-1-(3-phenylpropyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 2-[8-(4-chlorophenyl)-8-oxo-octyl]sulfanyl-1-(3-phenylpropyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 2-[[8-(4-chlorophenyl)-8-oxooctyl]thio]-1-(3-phenylpropyl)-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 2-[8-(4-chlorophenyl)-8-oxooctyl]sulfanyl-1-(3-phenylpropyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 2-[[8-(4-chlorophenyl)-8-keto-octyl]thio]-1-(3-phenylpropyl)-5-(5-pyrimidylmethyl)pyrimidin-4-one Formula: C32H35ClN4O2S MolecularWeight: 575.1639

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCN2C=C(C(=O)N=C2SCCCCCCCC(=O)C3=CC=C(C=C3)Cl)CC4=CN=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)CCCN2C=C(C(=O)N=C2SCCCCCCCC(=O)C3=CC=C(C=C3)Cl)CC4=CN=CN=C4

InChI

InChI=1S/C32H35ClN4O2S/c33-29-16-14-27(15-17-29)30(38)13-7-2-1-3-8-19-40-32-36-31(39)28(20-26-21-34-24-35-22-26)23-37(32)18-9-12-25-10-5-4-6-11-25/h4-6,10-11,14-17,21-24H,1-3,7-9,12-13,18-20H2