6-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylsulfanyl]-5-(pyrimidin-5-ylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 6-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylsulfanyl]-5-(pyrimidin-5-ylmethyl)-1H-pyrimidin-4-one Openeye Name: 6-(2-furylmethyl)-2-(p-tolylmethylsulfanyl)-5-(pyrimidin-5-ylmethyl)-1H-pyrimidin-4-one CAS Name: 6-(2-furanylmethyl)-2-[(4-methylphenyl)methylthio]-5-(5-pyrimidinylmethyl)-1H-pyrimidin-4-one IUPAC Name: 6-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylsulfanyl]-5-(pyrimidin-5-ylmethyl)-1H-pyrimidin-4-one Traditional Name: 6-(2-furfuryl)-2-[(4-methylbenzyl)thio]-5-(5-pyrimidylmethyl)-1H-pyrimidin-4-one Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC(=O)C(=C(N2)CC3=CC=CO3)CC4=CN=CN=C4

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC(=O)C(=C(N2)CC3=CC=CO3)CC4=CN=CN=C4

InChI

InChI=1S/C22H20N4O2S/c1-15-4-6-16(7-5-15)13-29-22-25-20(10-18-3-2-8-28-18)19(21(27)26-22)9-17-11-23-14-24-12-17/h2-8,11-12,14H,9-10,13H2,1H3,(H,25,26,27)