3,7-dimethyl-7-[(E)-non-6-enyl]purin-7-ium-2,6-dione

Systemtic Name: 3,7-dimethyl-7-[(E)-non-6-enyl]purin-7-ium-2,6-dione Openeye Name: 3,7-dimethyl-7-[(E)-non-6-enyl]purin-7-ium-2,6-dione CAS Name: 3,7-dimethyl-7-[(E)-non-6-enyl]purin-7-ium-2,6-dione IUPAC Name: 3,7-dimethyl-7-[(E)-non-6-enyl]purin-7-ium-2,6-dione Traditional Name: 3,7-dimethyl-7-[(E)-non-6-enyl]purin-7-ium-2,6-quinone Formula: C16H25N4O2+ MolecularWeight: 305.3953

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCCCCC[N+]1(C=NC2=C1C(=O)NC(=O)N2C)C

Isomeric SMILES

CC/C=C/CCCCC[N+]1(C=NC2=C1C(=O)NC(=O)N2C)C

InChI

InChI=1S/C16H24N4O2/c1-4-5-6-7-8-9-10-11-20(3)12-17-14-13(20)15(21)18-16(22)19(14)2/h5-6,12H,4,7-11H2,1-3H3/p+1/b6-5+