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

Systemtic Name: 5-[(2-tert-butyl-4-oxidanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-sulfonate Openeye Name: 5-[(2-tert-butyl-4-oxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-sulfonate CAS Name: 5-[(2-tert-butyl-4-oxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]-2-furansulfonate IUPAC Name: 5-[(2-tert-butyl-4-oxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-sulfonate Traditional Name: 5-[(2-tert-butyl-4-keto-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-sulfonate Formula: C16H20N3O5S- MolecularWeight: 366.4121

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=O)C2=C(N1)CCN(C2)CC3=CC=C(O3)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=NC(=O)C2=C(N1)CCN(C2)CC3=CC=C(O3)S(=O)(=O)[O-]

InChI

InChI=1S/C16H21N3O5S/c1-16(2,3)15-17-12-6-7-19(9-11(12)14(20)18-15)8-10-4-5-13(24-10)25(21,22)23/h4-5H,6-9H2,1-3H3,(H,17,18,20)(H,21,22,23)/p-1