1,3-dipropyl-8-(2,2,6,6-tetramethyl-1-oxidanidyl-piperidin-1-ium-4-yl)-7H-purine-2,6-dione

Systemtic Name: 1,3-dipropyl-8-(2,2,6,6-tetramethyl-1-oxidanidyl-piperidin-1-ium-4-yl)-7H-purine-2,6-dione Openeye Name: 1,3-dipropyl-8-(2,2,6,6-tetramethyl-1-oxido-piperidin-1-ium-4-yl)-7H-purine-2,6-dione CAS Name: 1,3-dipropyl-8-(2,2,6,6-tetramethyl-1-oxido-4-piperidin-1-iumyl)-7H-purine-2,6-dione IUPAC Name: 1,3-dipropyl-8-(2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium-4-yl)-7H-purine-2,6-dione Traditional Name: 1,3-dipropyl-8-(2,2,6,6-tetramethyl-1-oxido-piperidin-1-ium-4-yl)-7H-purine-2,6-quinone Formula: C20H33N5O3 MolecularWeight: 391.50772

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3CC([NH+](C(C3)(C)C)[O-])(C)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3CC([NH+](C(C3)(C)C)[O-])(C)C

InChI

InChI=1S/C20H33N5O3/c1-7-9-23-16-14(17(26)24(10-8-2)18(23)27)21-15(22-16)13-11-19(3,4)25(28)20(5,6)12-13/h13,25H,7-12H2,1-6H3,(H,21,22)