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

Systemtic Name: 5-[(2-cyclopropyl-4-oxidanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-sulfonate Openeye Name: 5-[(2-cyclopropyl-4-oxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-sulfonate CAS Name: 5-[(2-cyclopropyl-4-oxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]-2-furansulfonate IUPAC Name: 5-[(2-cyclopropyl-4-oxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-sulfonate Traditional Name: 5-[(2-cyclopropyl-4-keto-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-sulfonate Formula: C15H16N3O5S- MolecularWeight: 350.36964

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=O)C3=C(N2)CCN(C3)CC4=CC=C(O4)S(=O)(=O)[O-]

Isomeric SMILES

C1CC1C2=NC(=O)C3=C(N2)CCN(C3)CC4=CC=C(O4)S(=O)(=O)[O-]

InChI

InChI=1S/C15H17N3O5S/c19-15-11-8-18(7-10-3-4-13(23-10)24(20,21)22)6-5-12(11)16-14(17-15)9-1-2-9/h3-4,9H,1-2,5-8H2,(H,16,17,19)(H,20,21,22)/p-1