7-butyl-3,9-dimethyl-1,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione

Systemtic Name: 7-butyl-3,9-dimethyl-1,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione Openeye Name: 7-butyl-3,9-dimethyl-1,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione CAS Name: 7-butyl-3,9-dimethyl-1,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione IUPAC Name: 7-butyl-3,9-dimethyl-1,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione Traditional Name: 7-butyl-3,9-dimethyl-1,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-quinone Formula: C13H18N6O2 MolecularWeight: 290.32102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C3N2CC(=NN3)C)N(C1=O)C

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C3N2CC(=NN3)C)N(C1=O)C

InChI

InChI=1S/C13H18N6O2/c1-4-5-6-18-11(20)9-10(17(3)13(18)21)14-12-16-15-8(2)7-19(9)12/h4-7H2,1-3H3,(H,14,16)