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

Systemtic Name: 5-[(4-oxidanylidene-2-thiophen-2-yl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-sulfonate Openeye Name: 5-[[4-oxo-2-(2-thienyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]methyl]furan-2-sulfonate CAS Name: 5-[(4-oxo-2-thiophen-2-yl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]-2-furansulfonate IUPAC Name: 5-[(4-oxo-2-thiophen-2-yl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-sulfonate Traditional Name: 5-[[4-keto-2-(2-thienyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]methyl]furan-2-sulfonate Formula: C16H14N3O5S2- MolecularWeight: 392.42946

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1NC(=NC2=O)C3=CC=CS3)CC4=CC=C(O4)S(=O)(=O)[O-]

Isomeric SMILES

C1CN(CC2=C1NC(=NC2=O)C3=CC=CS3)CC4=CC=C(O4)S(=O)(=O)[O-]

InChI

InChI=1S/C16H15N3O5S2/c20-16-11-9-19(8-10-3-4-14(24-10)26(21,22)23)6-5-12(11)17-15(18-16)13-2-1-7-25-13/h1-4,7H,5-6,8-9H2,(H,17,18,20)(H,21,22,23)/p-1