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

Systemtic Name: 5-[(2-cyclohexyl-4-oxidanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-sulfonate Openeye Name: 5-[(2-cyclohexyl-4-oxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-sulfonate CAS Name: 5-[(2-cyclohexyl-4-oxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]-2-furansulfonate IUPAC Name: 5-[(2-cyclohexyl-4-oxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-sulfonate Traditional Name: 5-[(2-cyclohexyl-4-keto-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-sulfonate Formula: C18H22N3O5S- MolecularWeight: 392.44938

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC(=O)C3=C(N2)CCN(C3)CC4=CC=C(O4)S(=O)(=O)[O-]

Isomeric SMILES

C1CCC(CC1)C2=NC(=O)C3=C(N2)CCN(C3)CC4=CC=C(O4)S(=O)(=O)[O-]

InChI

InChI=1S/C18H23N3O5S/c22-18-14-11-21(10-13-6-7-16(26-13)27(23,24)25)9-8-15(14)19-17(20-18)12-4-2-1-3-5-12/h6-7,12H,1-5,8-11H2,(H,19,20,22)(H,23,24,25)/p-1