3-tert-butyl-1,9-dimethyl-7-propyl-4,10-dihydropurino[8,7-c][1,2,4]triazin-5-ium-6,8-dione

Systemtic Name: 3-tert-butyl-1,9-dimethyl-7-propyl-4,10-dihydropurino[8,7-c][1,2,4]triazin-5-ium-6,8-dione Openeye Name: 3-tert-butyl-1,9-dimethyl-7-propyl-4,10-dihydropurino[8,7-c][1,2,4]triazin-5-ium-6,8-dione CAS Name: 3-tert-butyl-1,9-dimethyl-7-propyl-4,10-dihydropurino[8,7-c][1,2,4]triazin-5-ium-6,8-dione IUPAC Name: 3-tert-butyl-1,9-dimethyl-7-propyl-4,10-dihydropurino[8,7-c][1,2,4]triazin-5-ium-6,8-dione Traditional Name: 3-tert-butyl-1,9-dimethyl-7-propyl-4,10-dihydropurino[8,7-c][1,2,4]triazin-5-ium-6,8-quinone Formula: C16H25N6O2+ MolecularWeight: 333.4087

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(NC3=[N+]2CC(=NN3C)C(C)(C)C)N(C1=O)C

Isomeric SMILES

CCCN1C(=O)C2=C(NC3=[N+]2CC(=NN3C)C(C)(C)C)N(C1=O)C

InChI

InChI=1S/C16H24N6O2/c1-7-8-21-13(23)11-12(19(5)15(21)24)17-14-20(6)18-10(9-22(11)14)16(2,3)4/h7-9H2,1-6H3/p+1