1-butan-2-yl-6-oxidanyl-5-(3-oxidanylidene-1H-2-benzofuran-1-yl)-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 1-butan-2-yl-6-oxidanyl-5-(3-oxidanylidene-1H-2-benzofuran-1-yl)-2-sulfanylidene-pyrimidin-4-one Openeye Name: 6-hydroxy-5-(3-oxo-1H-isobenzofuran-1-yl)-1-sec-butyl-2-thioxo-pyrimidin-4-one CAS Name: 1-butan-2-yl-6-hydroxy-5-(3-oxo-1H-isobenzofuran-1-yl)-2-sulfanylidene-4-pyrimidinone IUPAC Name: 1-butan-2-yl-6-hydroxy-5-(3-oxo-1H-2-benzofuran-1-yl)-2-sulfanylidenepyrimidin-4-one Traditional Name: 6-hydroxy-5-phthalidyl-1-sec-butyl-2-thioxo-pyrimidin-4-one Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=C(C(=O)NC1=S)C2C3=CC=CC=C3C(=O)O2)O

Isomeric SMILES

CCC(C)N1C(=C(C(=O)NC1=S)C2C3=CC=CC=C3C(=O)O2)O

InChI

InChI=1S/C16H16N2O4S/c1-3-8(2)18-14(20)11(13(19)17-16(18)23)12-9-6-4-5-7-10(9)15(21)22-12/h4-8,12,20H,3H2,1-2H3,(H,17,19,23)