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

Systemtic Name: 7-(1-adamantyl)-2,4-dimethyl-6-phenethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 7-(1-adamantyl)-2,4-dimethyl-6-phenethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 7-(1-adamantyl)-2,4-dimethyl-6-phenethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 7-(1-adamantyl)-2,4-dimethyl-6-phenethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 7-(1-adamantyl)-2,4-dimethyl-6-phenethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C27H31N5O2 MolecularWeight: 457.56734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CCC4=CC=CC=C4)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CCC4=CC=CC=C4)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C27H31N5O2/c1-29-23-22(24(33)30(2)26(29)34)32-16-21(27-13-18-10-19(14-27)12-20(11-18)15-27)31(25(32)28-23)9-8-17-6-4-3-5-7-17/h3-7,16,18-20H,8-15H2,1-2H3