6-cyclohexyl-4,7-dimethyl-2-(3-oxidanylidenebutan-2-yl)purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-cyclohexyl-4,7-dimethyl-2-(3-oxidanylidenebutan-2-yl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-cyclohexyl-4,7-dimethyl-2-(1-methyl-2-oxo-propyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 6-cyclohexyl-4,7-dimethyl-2-(3-oxobutan-2-yl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-cyclohexyl-4,7-dimethyl-2-(3-oxobutan-2-yl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 6-cyclohexyl-2-(2-keto-1-methyl-propyl)-4,7-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C19H25N5O3 MolecularWeight: 371.4335

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1C4CCCCC4)N(C(=O)N(C3=O)C(C)C(=O)C)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1C4CCCCC4)N(C(=O)N(C3=O)C(C)C(=O)C)C

InChI

InChI=1S/C19H25N5O3/c1-11-10-22-15-16(20-18(22)23(11)14-8-6-5-7-9-14)21(4)19(27)24(17(15)26)12(2)13(3)25/h10,12,14H,5-9H2,1-4H3