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

Systemtic Name: 5-[(2-methylsulfonyl-4-oxidanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-sulfonate Openeye Name: 5-[(2-methylsulfonyl-4-oxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-sulfonate CAS Name: 5-[(2-methylsulfonyl-4-oxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]-2-furansulfonate IUPAC Name: 5-[(2-methylsulfonyl-4-oxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-sulfonate Traditional Name: 5-[(4-keto-2-mesyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-sulfonate Formula: C13H14N3O7S2- MolecularWeight: 388.39616

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC(=O)C2=C(N1)CCN(C2)CC3=CC=C(O3)S(=O)(=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=NC(=O)C2=C(N1)CCN(C2)CC3=CC=C(O3)S(=O)(=O)[O-]

InChI

InChI=1S/C13H15N3O7S2/c1-24(18,19)13-14-10-4-5-16(7-9(10)12(17)15-13)6-8-2-3-11(23-8)25(20,21)22/h2-3H,4-7H2,1H3,(H,14,15,17)(H,20,21,22)/p-1