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

Systemtic Name: 4,7-dimethyl-2-(3-methylbutyl)-6-phenethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-isopentyl-4,7-dimethyl-6-phenethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7-dimethyl-2-(3-methylbutyl)-6-phenethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 4,7-dimethyl-2-(3-methylbutyl)-6-phenethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-isoamyl-4,7-dimethyl-6-phenethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C22H27N5O2 MolecularWeight: 393.48208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1CCC4=CC=CC=C4)N(C(=O)N(C3=O)CCC(C)C)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1CCC4=CC=CC=C4)N(C(=O)N(C3=O)CCC(C)C)C

InChI

InChI=1S/C22H27N5O2/c1-15(2)10-12-26-20(28)18-19(24(4)22(26)29)23-21-25(16(3)14-27(18)21)13-11-17-8-6-5-7-9-17/h5-9,14-15H,10-13H2,1-4H3