1-(3-oxidanylpropyl)-5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 1-(3-oxidanylpropyl)-5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-pyrimidin-4-one Openeye Name: 1-(3-hydroxypropyl)-5-(pyrimidin-5-ylmethyl)-2-thioxo-pyrimidin-4-one CAS Name: 1-(3-hydroxypropyl)-5-(5-pyrimidinylmethyl)-2-sulfanylidene-4-pyrimidinone IUPAC Name: 1-(3-hydroxypropyl)-5-(pyrimidin-5-ylmethyl)-2-sulfanylidenepyrimidin-4-one Traditional Name: 1-(3-hydroxypropyl)-5-(5-pyrimidylmethyl)-2-thioxo-pyrimidin-4-one Formula: C12H14N4O2S MolecularWeight: 278.33016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4O2S/c17-3-1-2-16-7-10(11(18)15-12(16)19)4-9-5-13-8-14-6-9/h5-8,17H,1-4H2,(H,15,18,19)