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

Systemtic Name: 5-[(2-methylsulfanyl-4-oxidanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-sulfonate Openeye Name: 5-[(2-methylsulfanyl-4-oxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-sulfonate CAS Name: 5-[[2-(methylthio)-4-oxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]methyl]-2-furansulfonate IUPAC Name: 5-[(2-methylsulfanyl-4-oxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-sulfonate Traditional Name: 5-[[4-keto-2-(methylthio)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]methyl]furan-2-sulfonate Formula: C13H14N3O5S2- MolecularWeight: 356.39736

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C2=C(N1)CCN(C2)CC3=CC=C(O3)S(=O)(=O)[O-]

Isomeric SMILES

CSC1=NC(=O)C2=C(N1)CCN(C2)CC3=CC=C(O3)S(=O)(=O)[O-]

InChI

InChI=1S/C13H15N3O5S2/c1-22-13-14-10-4-5-16(7-9(10)12(17)15-13)6-8-2-3-11(21-8)23(18,19)20/h2-3H,4-7H2,1H3,(H,14,15,17)(H,18,19,20)/p-1