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

Systemtic Name: 5-[(4-oxidanylidene-2-propan-2-yl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-sulfonate Openeye Name: 5-[(2-isopropyl-4-oxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-sulfonate CAS Name: 5-[(4-oxo-2-propan-2-yl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]-2-furansulfonate IUPAC Name: 5-[(4-oxo-2-propan-2-yl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-sulfonate Traditional Name: 5-[(2-isopropyl-4-keto-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-sulfonate Formula: C15H18N3O5S- MolecularWeight: 352.38552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O5S/c1-9(2)14-16-12-5-6-18(8-11(12)15(19)17-14)7-10-3-4-13(23-10)24(20,21)22/h3-4,9H,5-8H2,1-2H3,(H,16,17,19)(H,20,21,22)/p-1