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

Systemtic Name: 5-[(4-oxidanylidene-2-pyrimidin-5-yl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-sulfonate Openeye Name: 5-[(4-oxo-2-pyrimidin-5-yl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-sulfonate CAS Name: 5-[[4-oxo-2-(5-pyrimidinyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]methyl]-2-furansulfonate IUPAC Name: 5-[(4-oxo-2-pyrimidin-5-yl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-sulfonate Traditional Name: 5-[[4-keto-2-(5-pyrimidyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]methyl]furan-2-sulfonate Formula: C16H14N5O5S- MolecularWeight: 388.37786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N5O5S/c22-16-12-8-21(7-11-1-2-14(26-11)27(23,24)25)4-3-13(12)19-15(20-16)10-5-17-9-18-6-10/h1-2,5-6,9H,3-4,7-8H2,(H,19,20,22)(H,23,24,25)/p-1