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

Systemtic Name: 1-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylsulfanyl]-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 1-(2-furylmethyl)-2-(p-tolylmethylsulfanyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 1-(2-furanylmethyl)-2-[(4-methylphenyl)methylthio]-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 1-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylsulfanyl]-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 1-(2-furfuryl)-2-[(4-methylbenzyl)thio]-5-(5-pyrimidylmethyl)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(=CN2CC3=CC=CO3)CC4=CN=CN=C4

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC(=O)C(=CN2CC3=CC=CO3)CC4=CN=CN=C4

InChI

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