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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C3=C(N=C2N1CCC4=CC=CC=C4)N(C(=O)N(C3=O)CC(C)C)C)C

Isomeric SMILES

CC1=C(N2C3=C(N=C2N1CCC4=CC=CC=C4)N(C(=O)N(C3=O)CC(C)C)C)C

InChI

InChI=1S/C22H27N5O2/c1-14(2)13-26-20(28)18-19(24(5)22(26)29)23-21-25(15(3)16(4)27(18)21)12-11-17-9-7-6-8-10-17/h6-10,14H,11-13H2,1-5H3