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

Systemtic Name: 3,9-dimethyl-1-phenethyl-7-propyl-4,10-dihydropurino[8,7-c][1,2,4]triazin-5-ium-6,8-dione Openeye Name: 3,9-dimethyl-1-phenethyl-7-propyl-4,10-dihydropurino[8,7-c][1,2,4]triazin-5-ium-6,8-dione CAS Name: 3,9-dimethyl-1-phenethyl-7-propyl-4,10-dihydropurino[8,7-c][1,2,4]triazin-5-ium-6,8-dione IUPAC Name: 3,9-dimethyl-1-phenethyl-7-propyl-4,10-dihydropurino[8,7-c][1,2,4]triazin-5-ium-6,8-dione Traditional Name: 3,9-dimethyl-1-phenethyl-7-propyl-4,10-dihydropurino[8,7-c][1,2,4]triazin-5-ium-6,8-quinone Formula: C20H25N6O2+ MolecularWeight: 381.4515

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(NC3=[N+]2CC(=NN3CCC4=CC=CC=C4)C)N(C1=O)C

Isomeric SMILES

CCCN1C(=O)C2=C(NC3=[N+]2CC(=NN3CCC4=CC=CC=C4)C)N(C1=O)C

InChI

InChI=1S/C20H24N6O2/c1-4-11-24-18(27)16-17(23(3)20(24)28)21-19-25(16)13-14(2)22-26(19)12-10-15-8-6-5-7-9-15/h5-9H,4,10-13H2,1-3H3/p+1