1,1-bis(1-prop-2-enylcyclohexyl)-3,7-dihydropurin-1-ium-2,6-dione

Systemtic Name: 1,1-bis(1-prop-2-enylcyclohexyl)-3,7-dihydropurin-1-ium-2,6-dione Openeye Name: 1,1-bis(1-allylcyclohexyl)-3,7-dihydropurin-1-ium-2,6-dione CAS Name: 1,1-bis(1-prop-2-enylcyclohexyl)-3,7-dihydropurin-1-ium-2,6-dione IUPAC Name: 1,1-bis(1-prop-2-enylcyclohexyl)-3,7-dihydropurin-1-ium-2,6-dione Traditional Name: 1,1-bis(1-allylcyclohexyl)-3,7-dihydropurin-1-ium-2,6-quinone Formula: C23H33N4O2+ MolecularWeight: 397.53372

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1(CCCCC1)[N+]2(C(=O)C3=C(NC2=O)N=CN3)C4(CCCCC4)CC=C

Isomeric SMILES

C=CCC1(CCCCC1)[N+]2(C(=O)C3=C(NC2=O)N=CN3)C4(CCCCC4)CC=C

InChI

InChI=1S/C23H32N4O2/c1-3-11-22(13-7-5-8-14-22)27(23(12-4-2)15-9-6-10-16-23)20(28)18-19(25-17-24-18)26-21(27)29/h3-4,17H,1-2,5-16H2,(H-,24,25,26,28,29)/p+1