2-(furan-2-ylmethylsulfanyl)-1-(9-phenylnonyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one

Systemtic Name: 2-(furan-2-ylmethylsulfanyl)-1-(9-phenylnonyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 2-(2-furylmethylsulfanyl)-1-(9-phenylnonyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 2-(2-furanylmethylthio)-1-(9-phenylnonyl)-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 2-(furan-2-ylmethylsulfanyl)-1-(9-phenylnonyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 2-(2-furfurylthio)-1-(9-phenylnonyl)-5-(5-pyrimidylmethyl)pyrimidin-4-one Formula: C29H34N4O2S MolecularWeight: 502.67086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCCCN2C=C(C(=O)N=C2SCC3=CC=CO3)CC4=CN=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCCN2C=C(C(=O)N=C2SCC3=CC=CO3)CC4=CN=CN=C4

InChI

InChI=1S/C29H34N4O2S/c34-28-26(18-25-19-30-23-31-20-25)21-33(29(32-28)36-22-27-15-11-17-35-27)16-10-5-3-1-2-4-7-12-24-13-8-6-9-14-24/h6,8-9,11,13-15,17,19-21,23H,1-5,7,10,12,16,18,22H2