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

Systemtic Name: 2-[8-(4-chlorophenyl)-8-oxidanylidene-octyl]sulfanyl-1-(2-piperidin-1-ylethyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 2-[8-(4-chlorophenyl)-8-oxo-octyl]sulfanyl-1-[2-(1-piperidyl)ethyl]-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 2-[[8-(4-chlorophenyl)-8-oxooctyl]thio]-1-[2-(1-piperidinyl)ethyl]-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 2-[8-(4-chlorophenyl)-8-oxooctyl]sulfanyl-1-(2-piperidin-1-ylethyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 2-[[8-(4-chlorophenyl)-8-keto-octyl]thio]-1-(2-piperidinoethyl)-5-(5-pyrimidylmethyl)pyrimidin-4-one Formula: C30H38ClN5O2S MolecularWeight: 568.17302

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCN2C=C(C(=O)N=C2SCCCCCCCC(=O)C3=CC=C(C=C3)Cl)CC4=CN=CN=C4

Isomeric SMILES

C1CCN(CC1)CCN2C=C(C(=O)N=C2SCCCCCCCC(=O)C3=CC=C(C=C3)Cl)CC4=CN=CN=C4

InChI

InChI=1S/C30H38ClN5O2S/c31-27-12-10-25(11-13-27)28(37)9-5-2-1-3-8-18-39-30-34-29(38)26(19-24-20-32-23-33-21-24)22-36(30)17-16-35-14-6-4-7-15-35/h10-13,20-23H,1-9,14-19H2