2,4-bis(2-methylpropyl)-7-phenyl-6H-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 2,4-bis(2-methylpropyl)-7-phenyl-6H-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2,4-diisobutyl-7-phenyl-6H-purino[7,8-a]imidazole-1,3-dione CAS Name: 2,4-bis(2-methylpropyl)-7-phenyl-6H-purino[7,8-a]imidazole-1,3-dione IUPAC Name: 2,4-bis(2-methylpropyl)-7-phenyl-6H-purino[7,8-a]imidazole-1,3-dione Traditional Name: 2,4-diisobutyl-7-phenyl-6H-purin[7,8-a]imidazole-1,3-quinone Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)CC(C)C)N3C=C(NC3=N2)C4=CC=CC=C4

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)CC(C)C)N3C=C(NC3=N2)C4=CC=CC=C4

InChI

InChI=1S/C21H25N5O2/c1-13(2)10-25-18-17(19(27)26(21(25)28)11-14(3)4)24-12-16(22-20(24)23-18)15-8-6-5-7-9-15/h5-9,12-14H,10-11H2,1-4H3,(H,22,23)