5-[(5-ethanoyl-2-propoxy-phenyl)methyl]-6-oxidanyl-2-sulfanylidene-1H-pyrimidin-4-one

Systemtic Name: 5-[(5-ethanoyl-2-propoxy-phenyl)methyl]-6-oxidanyl-2-sulfanylidene-1H-pyrimidin-4-one Openeye Name: 5-[(5-acetyl-2-propoxy-phenyl)methyl]-6-hydroxy-2-thioxo-1H-pyrimidin-4-one CAS Name: 5-[(5-acetyl-2-propoxyphenyl)methyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name: 5-[(5-acetyl-2-propoxyphenyl)methyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one Traditional Name: 5-(5-acetyl-2-propoxy-benzyl)-6-hydroxy-2-thioxo-1H-pyrimidin-4-one Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)C)CC2=C(NC(=S)NC2=O)O

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)C)CC2=C(NC(=S)NC2=O)O

InChI

InChI=1S/C16H18N2O4S/c1-3-6-22-13-5-4-10(9(2)19)7-11(13)8-12-14(20)17-16(23)18-15(12)21/h4-5,7H,3,6,8H2,1-2H3,(H3,17,18,20,21,23)