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

Systemtic Name: 1-(3-oxidanylpropyl)-5-(phenylmethyl)-2-sulfanylidene-pyrimidin-4-one Openeye Name: 5-benzyl-1-(3-hydroxypropyl)-2-thioxo-pyrimidin-4-one CAS Name: 1-(3-hydroxypropyl)-5-(phenylmethyl)-2-sulfanylidene-4-pyrimidinone IUPAC Name: 5-benzyl-1-(3-hydroxypropyl)-2-sulfanylidenepyrimidin-4-one Traditional Name: 5-benzyl-1-(3-hydroxypropyl)-2-thioxo-pyrimidin-4-one Formula: C14H16N2O2S MolecularWeight: 276.35404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CN(C(=S)NC2=O)CCCO

Isomeric SMILES

C1=CC=C(C=C1)CC2=CN(C(=S)NC2=O)CCCO

InChI

InChI=1S/C14H16N2O2S/c17-8-4-7-16-10-12(13(18)15-14(16)19)9-11-5-2-1-3-6-11/h1-3,5-6,10,17H,4,7-9H2,(H,15,18,19)