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

Systemtic Name: 5-[(4-oxidanylidene-2-pyridin-3-yl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-sulfonate Openeye Name: 5-[[4-oxo-2-(3-pyridyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]methyl]furan-2-sulfonate CAS Name: 5-[[4-oxo-2-(3-pyridinyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]methyl]-2-furansulfonate IUPAC Name: 5-[(4-oxo-2-pyridin-3-yl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-sulfonate Traditional Name: 5-[[4-keto-2-(3-pyridyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]methyl]furan-2-sulfonate Formula: C17H15N4O5S- MolecularWeight: 387.3898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O5S/c22-17-13-10-21(9-12-3-4-15(26-12)27(23,24)25)7-5-14(13)19-16(20-17)11-2-1-6-18-8-11/h1-4,6,8H,5,7,9-10H2,(H,19,20,22)(H,23,24,25)/p-1