1-(oxolan-2-ylmethyl)-2-(phenylmethylsulfanyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one

Systemtic Name: 1-(oxolan-2-ylmethyl)-2-(phenylmethylsulfanyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-5-(pyrimidin-5-ylmethyl)-1-(tetrahydrofuran-2-ylmethyl)pyrimidin-4-one CAS Name: 1-(2-oxolanylmethyl)-2-(phenylmethylthio)-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 2-benzylsulfanyl-1-(oxolan-2-ylmethyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 2-(benzylthio)-5-(5-pyrimidylmethyl)-1-(tetrahydrofurfuryl)pyrimidin-4-one Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C=C(C(=O)N=C2SCC3=CC=CC=C3)CC4=CN=CN=C4

Isomeric SMILES

C1CC(OC1)CN2C=C(C(=O)N=C2SCC3=CC=CC=C3)CC4=CN=CN=C4

InChI

InChI=1S/C21H22N4O2S/c26-20-18(9-17-10-22-15-23-11-17)12-25(13-19-7-4-8-27-19)21(24-20)28-14-16-5-2-1-3-6-16/h1-3,5-6,10-12,15,19H,4,7-9,13-14H2