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

Systemtic Name: 7-(1-adamantyl)-6-(2-hydroxyethyl)-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 7-(1-adamantyl)-6-(2-hydroxyethyl)-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 7-(1-adamantyl)-6-(2-hydroxyethyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 7-(1-adamantyl)-6-(2-hydroxyethyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 7-(1-adamantyl)-6-(2-hydroxyethyl)-2,4-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CCO)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CCO)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C21H27N5O3/c1-23-17-16(18(28)24(2)20(23)29)26-11-15(25(3-4-27)19(26)22-17)21-8-12-5-13(9-21)7-14(6-12)10-21/h11-14,27H,3-10H2,1-2H3