2-(3,3-dimethyl-2-oxidanylidene-butyl)-4-methyl-7-phenyl-6-propan-2-yl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)-4-methyl-7-phenyl-6-propan-2-yl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-(3,3-dimethyl-2-oxo-butyl)-6-isopropyl-4-methyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 2-(3,3-dimethyl-2-oxobutyl)-4-methyl-7-phenyl-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 2-(3,3-dimethyl-2-oxobutyl)-4-methyl-7-phenyl-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-isopropyl-2-(2-keto-3,3-dimethyl-butyl)-4-methyl-7-phenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C23H27N5O3 MolecularWeight: 421.49218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)CC(=O)C(C)(C)C)C4=CC=CC=C4

Isomeric SMILES

CC(C)N1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)CC(=O)C(C)(C)C)C4=CC=CC=C4

InChI

InChI=1S/C23H27N5O3/c1-14(2)28-16(15-10-8-7-9-11-15)12-26-18-19(24-21(26)28)25(6)22(31)27(20(18)30)13-17(29)23(3,4)5/h7-12,14H,13H2,1-6H3