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

Systemtic Name: 2-[8-(4-chlorophenyl)-8-oxidanylidene-octyl]sulfanyl-1-(2-pyridin-3-ylethyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 2-[8-(4-chlorophenyl)-8-oxo-octyl]sulfanyl-1-[2-(3-pyridyl)ethyl]-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 2-[[8-(4-chlorophenyl)-8-oxooctyl]thio]-1-[2-(3-pyridinyl)ethyl]-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 2-[8-(4-chlorophenyl)-8-oxooctyl]sulfanyl-1-(2-pyridin-3-ylethyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 2-[[8-(4-chlorophenyl)-8-keto-octyl]thio]-1-[2-(3-pyridyl)ethyl]-5-(5-pyrimidylmethyl)pyrimidin-4-one Formula: C30H32ClN5O2S MolecularWeight: 562.12538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CCN2C=C(C(=O)N=C2SCCCCCCCC(=O)C3=CC=C(C=C3)Cl)CC4=CN=CN=C4

Isomeric SMILES

C1=CC(=CN=C1)CCN2C=C(C(=O)N=C2SCCCCCCCC(=O)C3=CC=C(C=C3)Cl)CC4=CN=CN=C4

InChI

InChI=1S/C30H32ClN5O2S/c31-27-11-9-25(10-12-27)28(37)8-4-2-1-3-5-16-39-30-35-29(38)26(17-24-19-33-22-34-20-24)21-36(30)15-13-23-7-6-14-32-18-23/h6-7,9-12,14,18-22H,1-5,8,13,15-17H2