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

Systemtic Name: 1-(5-oxidanylpentyl)-2-(phenylmethylsulfanyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-1-(5-hydroxypentyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 1-(5-hydroxypentyl)-2-(phenylmethylthio)-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 2-benzylsulfanyl-1-(5-hydroxypentyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 2-(benzylthio)-1-(5-hydroxypentyl)-5-(5-pyrimidylmethyl)pyrimidin-4-one Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=O)C(=CN2CCCCCO)CC3=CN=CN=C3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=O)C(=CN2CCCCCO)CC3=CN=CN=C3

InChI

InChI=1S/C21H24N4O2S/c26-10-6-2-5-9-25-14-19(11-18-12-22-16-23-13-18)20(27)24-21(25)28-15-17-7-3-1-4-8-17/h1,3-4,7-8,12-14,16,26H,2,5-6,9-11,15H2