6-(4-dimethylaminophenyl)-4,7-dimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(4-dimethylaminophenyl)-4,7-dimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(4-dimethylaminophenyl)-2-isobutyl-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(4-dimethylaminophenyl)-4,7-dimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(4-dimethylaminophenyl)-4,7-dimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(4-dimethylaminophenyl)-2-isobutyl-4,7-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C21H26N6O2 MolecularWeight: 394.47014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1C4=CC=C(C=C4)N(C)C)N(C(=O)N(C3=O)CC(C)C)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1C4=CC=C(C=C4)N(C)C)N(C(=O)N(C3=O)CC(C)C)C

InChI

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