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

Systemtic Name: 5-[(2-methyl-4-oxidanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-sulfonate Openeye Name: 5-[(2-methyl-4-oxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-sulfonate CAS Name: 5-[(2-methyl-4-oxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]-2-furansulfonate IUPAC Name: 5-[(2-methyl-4-oxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-sulfonate Traditional Name: 5-[(4-keto-2-methyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-sulfonate Formula: C13H14N3O5S- MolecularWeight: 324.33236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)CCN(C2)CC3=CC=C(O3)S(=O)(=O)[O-]

Isomeric SMILES

CC1=NC(=O)C2=C(N1)CCN(C2)CC3=CC=C(O3)S(=O)(=O)[O-]

InChI

InChI=1S/C13H15N3O5S/c1-8-14-11-4-5-16(7-10(11)13(17)15-8)6-9-2-3-12(21-9)22(18,19)20/h2-3H,4-7H2,1H3,(H,14,15,17)(H,18,19,20)/p-1