(4R,5R)-1-hexyl-3,7-dimethyl-5,9-dihydro-4H-purin-7-ium-2,6-dione

Systemtic Name: (4R,5R)-1-hexyl-3,7-dimethyl-5,9-dihydro-4H-purin-7-ium-2,6-dione Openeye Name: (4R,5R)-1-hexyl-3,7-dimethyl-5,9-dihydro-4H-purin-7-ium-2,6-dione CAS Name: (4R,5R)-1-hexyl-3,7-dimethyl-5,9-dihydro-4H-purin-7-ium-2,6-dione IUPAC Name: (4R,5R)-1-hexyl-3,7-dimethyl-5,9-dihydro-4H-purin-7-ium-2,6-dione Traditional Name: (4R,5R)-1-hexyl-3,7-dimethyl-5,9-dihydro-4H-purin-7-ium-2,6-quinone Formula: C13H23N4O2+ MolecularWeight: 267.34732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2C(NC=[N+]2C)N(C1=O)C

Isomeric SMILES

CCCCCCN1C(=O)[C@H]2[C@H](NC=[N+]2C)N(C1=O)C

InChI

InChI=1S/C13H22N4O2/c1-4-5-6-7-8-17-12(18)10-11(14-9-15(10)2)16(3)13(17)19/h9-11H,4-8H2,1-3H3/p+1/t10-,11-/m1/s1