1-(furan-2-ylmethyl)-2-phenethylsulfanyl-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one

Systemtic Name: 1-(furan-2-ylmethyl)-2-phenethylsulfanyl-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 1-(2-furylmethyl)-2-phenethylsulfanyl-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 1-(2-furanylmethyl)-2-(phenethylthio)-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 1-(furan-2-ylmethyl)-2-phenethylsulfanyl-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 1-(2-furfuryl)-2-(phenethylthio)-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)CCSC2=NC(=O)C(=CN2CC3=CC=CO3)CC4=CN=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=NC(=O)C(=CN2CC3=CC=CO3)CC4=CN=CN=C4

InChI

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