3-butan-2-yl-5-(6-methyl-7-oxidanyl-1,3-dihydrofuro[3,4-c]pyridin-5-ium-1-yl)-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: 3-butan-2-yl-5-(6-methyl-7-oxidanyl-1,3-dihydrofuro[3,4-c]pyridin-5-ium-1-yl)-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-5-ium-1-yl)-6-oxo-3-sec-butyl-2-thioxo-pyrimidin-4-olate CAS Name: 3-butan-2-yl-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-5-ium-1-yl)-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 3-butan-2-yl-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-5-ium-1-yl)-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: 5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-5-ium-1-yl)-6-keto-3-sec-butyl-2-thioxo-pyrimidin-4-olate Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=C(C(=O)NC1=S)C2C3=C(C(=[NH+]C=C3CO2)C)O)[O-]

Isomeric SMILES

CCC(C)N1C(=C(C(=O)NC1=S)C2C3=C(C(=[NH+]C=C3CO2)C)O)[O-]

InChI

InChI=1S/C16H19N3O4S/c1-4-7(2)19-15(22)11(14(21)18-16(19)24)13-10-9(6-23-13)5-17-8(3)12(10)20/h5,7,13,20,22H,4,6H2,1-3H3,(H,18,21,24)