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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CCC45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CCC45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7

InChI

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