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

Systemtic Name: 4,7-dimethyl-2-(3-methylbutyl)-6-(phenylmethyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-benzyl-2-isopentyl-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7-dimethyl-2-(3-methylbutyl)-6-(phenylmethyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-benzyl-4,7-dimethyl-2-(3-methylbutyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 6-benzyl-2-isoamyl-4,7-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1CC4=CC=CC=C4)N(C(=O)N(C3=O)CCC(C)C)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1CC4=CC=CC=C4)N(C(=O)N(C3=O)CCC(C)C)C

InChI

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