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

Systemtic Name: 3-tert-butyl-7,9-dimethyl-1-phenethyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione Openeye Name: 3-tert-butyl-7,9-dimethyl-1-phenethyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione CAS Name: 3-tert-butyl-7,9-dimethyl-1-phenethyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione IUPAC Name: 3-tert-butyl-7,9-dimethyl-1-phenethyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione Traditional Name: 3-tert-butyl-7,9-dimethyl-1-phenethyl-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:

CC(C)(C)C1=NN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)C)CCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)C)CCC4=CC=CC=C4

InChI

InChI=1S/C21H26N6O2/c1-21(2,3)15-13-26-16-17(24(4)20(29)25(5)18(16)28)22-19(26)27(23-15)12-11-14-9-7-6-8-10-14/h6-10H,11-13H2,1-5H3