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

Systemtic Name: 6-(1-adamantylmethyl)-7-(4-methoxyphenyl)-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(1-adamantylmethyl)-7-(4-methoxyphenyl)-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(1-adamantylmethyl)-7-(4-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(1-adamantylmethyl)-7-(4-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(1-adamantylmethyl)-7-(4-methoxyphenyl)-2,4-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C27H31N5O3 MolecularWeight: 473.56674

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CC45CC6CC(C4)CC(C6)C5)C7=CC=C(C=C7)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CC45CC6CC(C4)CC(C6)C5)C7=CC=C(C=C7)OC

InChI

InChI=1S/C27H31N5O3/c1-29-23-22(24(33)30(2)26(29)34)31-14-21(19-4-6-20(35-3)7-5-19)32(25(31)28-23)15-27-11-16-8-17(12-27)10-18(9-16)13-27/h4-7,14,16-18H,8-13,15H2,1-3H3