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

Systemtic Name: 1-hexyl-7,9-dimethyl-3-phenyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione Openeye Name: 1-hexyl-7,9-dimethyl-3-phenyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione CAS Name: 1-hexyl-7,9-dimethyl-3-phenyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione IUPAC Name: 1-hexyl-7,9-dimethyl-3-phenyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione Traditional Name: 1-hexyl-7,9-dimethyl-3-phenyl-4H-purino[8,7-c][1,2,4]triazine-6,8-quinone Formula: C21H26N6O2 MolecularWeight: 394.47014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=NC3=C(N2CC(=N1)C4=CC=CC=C4)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCCCCCN1C2=NC3=C(N2CC(=N1)C4=CC=CC=C4)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C21H26N6O2/c1-4-5-6-10-13-27-20-22-18-17(19(28)25(3)21(29)24(18)2)26(20)14-16(23-27)15-11-8-7-9-12-15/h7-9,11-12H,4-6,10,13-14H2,1-3H3