2-[(3-chlorophenyl)methylsulfanyl]-1-(furan-2-ylmethyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-1-(furan-2-ylmethyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-1-(2-furylmethyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 2-[(3-chlorophenyl)methylthio]-1-(2-furanylmethyl)-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-1-(furan-2-ylmethyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 2-[(3-chlorobenzyl)thio]-1-(2-furfuryl)-5-(5-pyrimidylmethyl)pyrimidin-4-one Formula: C21H17ClN4O2S MolecularWeight: 424.90328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN4O2S/c22-18-4-1-3-15(8-18)13-29-21-25-20(27)17(7-16-9-23-14-24-10-16)11-26(21)12-19-5-2-6-28-19/h1-6,8-11,14H,7,12-13H2