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

Systemtic Name: 1-(2-methoxyethyl)-2-(phenylmethylsulfanyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-1-(2-methoxyethyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 1-(2-methoxyethyl)-2-(phenylmethylthio)-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 2-benzylsulfanyl-1-(2-methoxyethyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 2-(benzylthio)-1-(2-methoxyethyl)-5-(5-pyrimidylmethyl)pyrimidin-4-one Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C=C(C(=O)N=C1SCC2=CC=CC=C2)CC3=CN=CN=C3

Isomeric SMILES

COCCN1C=C(C(=O)N=C1SCC2=CC=CC=C2)CC3=CN=CN=C3

InChI

InChI=1S/C19H20N4O2S/c1-25-8-7-23-12-17(9-16-10-20-14-21-11-16)18(24)22-19(23)26-13-15-5-3-2-4-6-15/h2-6,10-12,14H,7-9,13H2,1H3