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

Systemtic Name: 7-(1-adamantyl)-2,4-dimethyl-6-(3-oxidanylpropyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 7-(1-adamantyl)-6-(3-hydroxypropyl)-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 7-(1-adamantyl)-6-(3-hydroxypropyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 7-(1-adamantyl)-6-(3-hydroxypropyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 7-(1-adamantyl)-6-(3-hydroxypropyl)-2,4-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O3/c1-24-18-17(19(29)25(2)21(24)30)27-12-16(26(4-3-5-28)20(27)23-18)22-9-13-6-14(10-22)8-15(7-13)11-22/h12-15,28H,3-11H2,1-2H3