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

Systemtic Name: 7-butyl-3,9-dimethyl-1-propan-2-yl-4,10-dihydropurino[8,7-c][1,2,4]triazin-5-ium-6,8-dione Openeye Name: 7-butyl-1-isopropyl-3,9-dimethyl-4,10-dihydropurino[8,7-c][1,2,4]triazin-5-ium-6,8-dione CAS Name: 7-butyl-3,9-dimethyl-1-propan-2-yl-4,10-dihydropurino[8,7-c][1,2,4]triazin-5-ium-6,8-dione IUPAC Name: 7-butyl-3,9-dimethyl-1-propan-2-yl-4,10-dihydropurino[8,7-c][1,2,4]triazin-5-ium-6,8-dione Traditional Name: 7-butyl-1-isopropyl-3,9-dimethyl-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:

CCCCN1C(=O)C2=C(NC3=[N+]2CC(=NN3C(C)C)C)N(C1=O)C

Isomeric SMILES

CCCCN1C(=O)C2=C(NC3=[N+]2CC(=NN3C(C)C)C)N(C1=O)C

InChI

InChI=1S/C16H24N6O2/c1-6-7-8-20-14(23)12-13(19(5)16(20)24)17-15-21(12)9-11(4)18-22(15)10(2)3/h10H,6-9H2,1-5H3/p+1