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

Systemtic Name: azanium 3-butan-2-yl-6-oxidanylidene-5-(3-oxidanylidene-1H-2-benzofuran-1-yl)-2-sulfanylidene-pyrimidin-4-olate Openeye Name: ammonium 6-oxo-5-(3-oxo-1H-isobenzofuran-1-yl)-3-sec-butyl-2-thioxo-pyrimidin-4-olate CAS Name: ammonium 3-butan-2-yl-6-oxo-5-(3-oxo-1H-isobenzofuran-1-yl)-2-sulfanylidene-4-pyrimidinolate IUPAC Name: azanium 3-butan-2-yl-6-oxo-5-(3-oxo-1H-2-benzofuran-1-yl)-2-sulfanylidenepyrimidin-4-olate Traditional Name: ammonium 6-keto-5-phthalidyl-3-sec-butyl-2-thioxo-pyrimidin-4-olate Formula: C16H19N3O4S MolecularWeight: 349.40476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=C(C(=O)NC1=S)C2C3=CC=CC=C3C(=O)O2)[O-].[NH4+]

Isomeric SMILES

CCC(C)N1C(=C(C(=O)NC1=S)C2C3=CC=CC=C3C(=O)O2)[O-].[NH4+]

InChI

InChI=1S/C16H16N2O4S.H3N/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);1H3