3-tert-butyl-7-ethyl-9-methyl-1-prop-2-enyl-4,10-dihydropurino[8,7-c][1,2,4]triazin-5-ium-6,8-dione

Systemtic Name: 3-tert-butyl-7-ethyl-9-methyl-1-prop-2-enyl-4,10-dihydropurino[8,7-c][1,2,4]triazin-5-ium-6,8-dione Openeye Name: 1-allyl-3-tert-butyl-7-ethyl-9-methyl-4,10-dihydropurino[8,7-c][1,2,4]triazin-5-ium-6,8-dione CAS Name: 3-tert-butyl-7-ethyl-9-methyl-1-prop-2-enyl-4,10-dihydropurino[8,7-c][1,2,4]triazin-5-ium-6,8-dione IUPAC Name: 3-tert-butyl-7-ethyl-9-methyl-1-prop-2-enyl-4,10-dihydropurino[8,7-c][1,2,4]triazin-5-ium-6,8-dione Traditional Name: 1-allyl-3-tert-butyl-7-ethyl-9-methyl-4,10-dihydropurino[8,7-c][1,2,4]triazin-5-ium-6,8-quinone Formula: C17H25N6O2+ MolecularWeight: 345.4194

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(NC3=[N+]2CC(=NN3CC=C)C(C)(C)C)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(NC3=[N+]2CC(=NN3CC=C)C(C)(C)C)N(C1=O)C

InChI

InChI=1S/C17H24N6O2/c1-7-9-23-15-18-13-12(14(24)21(8-2)16(25)20(13)6)22(15)10-11(19-23)17(3,4)5/h7H,1,8-10H2,2-6H3/p+1