1-(9-phenylnonyl)-5-(pyrimidin-5-ylmethyl)-2-(1,3-thiazol-2-ylmethylsulfanyl)pyrimidin-4-one

Systemtic Name: 1-(9-phenylnonyl)-5-(pyrimidin-5-ylmethyl)-2-(1,3-thiazol-2-ylmethylsulfanyl)pyrimidin-4-one Openeye Name: 1-(9-phenylnonyl)-5-(pyrimidin-5-ylmethyl)-2-(thiazol-2-ylmethylsulfanyl)pyrimidin-4-one CAS Name: 1-(9-phenylnonyl)-5-(5-pyrimidinylmethyl)-2-(2-thiazolylmethylthio)-4-pyrimidinone IUPAC Name: 1-(9-phenylnonyl)-5-(pyrimidin-5-ylmethyl)-2-(1,3-thiazol-2-ylmethylsulfanyl)pyrimidin-4-one Traditional Name: 1-(9-phenylnonyl)-5-(5-pyrimidylmethyl)-2-(thiazol-2-ylmethylthio)pyrimidin-4-one Formula: C28H33N5OS2 MolecularWeight: 519.72452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCCCN2C=C(C(=O)N=C2SCC3=NC=CS3)CC4=CN=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCCN2C=C(C(=O)N=C2SCC3=NC=CS3)CC4=CN=CN=C4

InChI

InChI=1S/C28H33N5OS2/c34-27-25(17-24-18-29-22-30-19-24)20-33(28(32-27)36-21-26-31-14-16-35-26)15-10-5-3-1-2-4-7-11-23-12-8-6-9-13-23/h6,8-9,12-14,16,18-20,22H,1-5,7,10-11,15,17,21H2