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

Systemtic Name: 2-(furan-2-ylmethylsulfanyl)-1-phenethyl-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 2-(2-furylmethylsulfanyl)-1-phenethyl-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 2-(2-furanylmethylthio)-1-phenethyl-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 2-(furan-2-ylmethylsulfanyl)-1-phenethyl-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 2-(2-furfurylthio)-1-phenethyl-5-(5-pyrimidylmethyl)pyrimidin-4-one Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C=C(C(=O)N=C2SCC3=CC=CO3)CC4=CN=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)CCN2C=C(C(=O)N=C2SCC3=CC=CO3)CC4=CN=CN=C4

InChI

InChI=1S/C22H20N4O2S/c27-21-19(11-18-12-23-16-24-13-18)14-26(9-8-17-5-2-1-3-6-17)22(25-21)29-15-20-7-4-10-28-20/h1-7,10,12-14,16H,8-9,11,15H2