5-ethyl-6-oxidanyl-2-(phenylmethylsulfanyl)-1-prop-2-enyl-pyrimidin-4-one

Systemtic Name: 5-ethyl-6-oxidanyl-2-(phenylmethylsulfanyl)-1-prop-2-enyl-pyrimidin-4-one Openeye Name: 1-allyl-2-benzylsulfanyl-5-ethyl-6-hydroxy-pyrimidin-4-one CAS Name: 5-ethyl-6-hydroxy-2-(phenylmethylthio)-1-prop-2-enyl-4-pyrimidinone IUPAC Name: 2-benzylsulfanyl-5-ethyl-6-hydroxy-1-prop-2-enylpyrimidin-4-one Traditional Name: 1-allyl-2-(benzylthio)-5-ethyl-6-hydroxy-pyrimidin-4-one Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=NC1=O)SCC2=CC=CC=C2)CC=C)O

Isomeric SMILES

CCC1=C(N(C(=NC1=O)SCC2=CC=CC=C2)CC=C)O

InChI

InChI=1S/C16H18N2O2S/c1-3-10-18-15(20)13(4-2)14(19)17-16(18)21-11-12-8-6-5-7-9-12/h3,5-9,20H,1,4,10-11H2,2H3