8-cyclopentyl-1-propyl-3-[(2,2,5,5-tetramethyl-1-oxidanidyl-1H-pyrrol-1-ium-3-yl)methyl]-7H-purine-2,6-dione

Systemtic Name: 8-cyclopentyl-1-propyl-3-[(2,2,5,5-tetramethyl-1-oxidanidyl-1H-pyrrol-1-ium-3-yl)methyl]-7H-purine-2,6-dione Openeye Name: 8-cyclopentyl-1-propyl-3-[(2,2,5,5-tetramethyl-1-oxido-1H-pyrrol-1-ium-3-yl)methyl]-7H-purine-2,6-dione CAS Name: 8-cyclopentyl-1-propyl-3-[(2,2,5,5-tetramethyl-1-oxido-1H-pyrrol-1-ium-3-yl)methyl]-7H-purine-2,6-dione IUPAC Name: 8-cyclopentyl-1-propyl-3-[(2,2,5,5-tetramethyl-1-oxido-1H-pyrrol-1-ium-3-yl)methyl]-7H-purine-2,6-dione Traditional Name: 8-cyclopentyl-1-propyl-3-[(2,2,5,5-tetramethyl-1-oxido-3-pyrrolin-1-ium-3-yl)methyl]-7H-purine-2,6-quinone Formula: C22H33N5O3 MolecularWeight: 415.52912

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)C3CCCC3)N(C1=O)CC4=CC([NH+](C4(C)C)[O-])(C)C

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)C3CCCC3)N(C1=O)CC4=CC([NH+](C4(C)C)[O-])(C)C

InChI

InChI=1S/C22H33N5O3/c1-6-11-25-19(28)16-18(24-17(23-16)14-9-7-8-10-14)26(20(25)29)13-15-12-21(2,3)27(30)22(15,4)5/h12,14,27H,6-11,13H2,1-5H3,(H,23,24)