5-[(4-oxidanylidene-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-sulfonate

Systemtic Name: 5-[(4-oxidanylidene-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-sulfonate Openeye Name: 5-[(4-oxo-2-thioxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-sulfonate CAS Name: 5-[(4-oxo-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]-2-furansulfonate IUPAC Name: 5-[(4-oxo-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-sulfonate Traditional Name: 5-[(4-keto-2-thioxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-sulfonate Formula: C12H12N3O5S2- MolecularWeight: 342.37078

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1NC(=S)NC2=O)CC3=CC=C(O3)S(=O)(=O)[O-]

Isomeric SMILES

C1CN(CC2=C1NC(=S)NC2=O)CC3=CC=C(O3)S(=O)(=O)[O-]

InChI

InChI=1S/C12H13N3O5S2/c16-11-8-6-15(4-3-9(8)13-12(21)14-11)5-7-1-2-10(20-7)22(17,18)19/h1-2H,3-6H2,(H,17,18,19)(H2,13,14,16,21)/p-1