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

Systemtic Name: 1-(5-oxidanylpentyl)-5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-pyrimidin-4-one Openeye Name: 1-(5-hydroxypentyl)-5-(pyrimidin-5-ylmethyl)-2-thioxo-pyrimidin-4-one CAS Name: 1-(5-hydroxypentyl)-5-(5-pyrimidinylmethyl)-2-sulfanylidene-4-pyrimidinone IUPAC Name: 1-(5-hydroxypentyl)-5-(pyrimidin-5-ylmethyl)-2-sulfanylidenepyrimidin-4-one Traditional Name: 1-(5-hydroxypentyl)-5-(5-pyrimidylmethyl)-2-thioxo-pyrimidin-4-one Formula: C14H18N4O2S MolecularWeight: 306.38332

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NC=N1)CC2=CN(C(=S)NC2=O)CCCCCO

Isomeric SMILES

C1=C(C=NC=N1)CC2=CN(C(=S)NC2=O)CCCCCO

InChI

InChI=1S/C14H18N4O2S/c19-5-3-1-2-4-18-9-12(13(20)17-14(18)21)6-11-7-15-10-16-8-11/h7-10,19H,1-6H2,(H,17,20,21)