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

Systemtic Name: 5-[(4-oxidanylidene-2-pyridin-4-yl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-sulfonate Openeye Name: 5-[[4-oxo-2-(4-pyridyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]methyl]furan-2-sulfonate CAS Name: 5-[(4-oxo-2-pyridin-4-yl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]-2-furansulfonate IUPAC Name: 5-[(4-oxo-2-pyridin-4-yl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-sulfonate Traditional Name: 5-[[4-keto-2-(4-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=CC=NC=C3)CC4=CC=C(O4)S(=O)(=O)[O-]

Isomeric SMILES

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

InChI

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