1,7-dihexyl-3,9-dimethyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione

Systemtic Name: 1,7-dihexyl-3,9-dimethyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione Openeye Name: 1,7-dihexyl-3,9-dimethyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione CAS Name: 1,7-dihexyl-3,9-dimethyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione IUPAC Name: 1,7-dihexyl-3,9-dimethyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione Traditional Name: 1,7-dihexyl-3,9-dimethyl-4H-purino[8,7-c][1,2,4]triazine-6,8-quinone Formula: C21H34N6O2 MolecularWeight: 402.53366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=C(N=C3N2CC(=NN3CCCCCC)C)N(C1=O)C

Isomeric SMILES

CCCCCCN1C(=O)C2=C(N=C3N2CC(=NN3CCCCCC)C)N(C1=O)C

InChI

InChI=1S/C21H34N6O2/c1-5-7-9-11-13-25-19(28)17-18(24(4)21(25)29)22-20-26(17)15-16(3)23-27(20)14-12-10-8-6-2/h5-15H2,1-4H3