8-(4-oxidanyl-1-adamantyl)-1,3-dipropyl-7H-purine-2,6-dione

Systemtic Name: 8-(4-oxidanyl-1-adamantyl)-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-(4-hydroxy-1-adamantyl)-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-(4-hydroxy-1-adamantyl)-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-(4-hydroxy-1-adamantyl)-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-(4-hydroxy-1-adamantyl)-1,3-dipropyl-7H-purine-2,6-quinone Formula: C21H30N4O3 MolecularWeight: 386.4879

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C34CC5CC(C3)C(C(C5)C4)O

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C34CC5CC(C3)C(C(C5)C4)O

InChI

InChI=1S/C21H30N4O3/c1-3-5-24-17-15(18(27)25(6-4-2)20(24)28)22-19(23-17)21-9-12-7-13(10-21)16(26)14(8-12)11-21/h12-14,16,26H,3-11H2,1-2H3,(H,22,23)