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

Systemtic Name: 4,7-dimethyl-2-(3-methylbutyl)-6H-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-isopentyl-4,7-dimethyl-6H-purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7-dimethyl-2-(3-methylbutyl)-6H-purino[7,8-a]imidazole-1,3-dione IUPAC Name: 4,7-dimethyl-2-(3-methylbutyl)-6H-purino[7,8-a]imidazole-1,3-dione Traditional Name: 2-isoamyl-4,7-dimethyl-6H-purin[7,8-a]imidazole-1,3-quinone Formula: C14H19N5O2 MolecularWeight: 289.33296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1)N(C(=O)N(C3=O)CCC(C)C)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1)N(C(=O)N(C3=O)CCC(C)C)C

InChI

InChI=1S/C14H19N5O2/c1-8(2)5-6-18-12(20)10-11(17(4)14(18)21)16-13-15-9(3)7-19(10)13/h7-8H,5-6H2,1-4H3,(H,15,16)