8-(3-piperazin-1-ylcarbonyl-1-adamantyl)-1,3-dipropyl-7H-purine-2,6-dione

Systemtic Name: 8-(3-piperazin-1-ylcarbonyl-1-adamantyl)-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-[3-(piperazine-1-carbonyl)-1-adamantyl]-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-[3-[oxo(1-piperazinyl)methyl]-1-adamantyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-[3-(piperazine-1-carbonyl)-1-adamantyl]-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-[3-(piperazine-1-carbonyl)-1-adamantyl]-1,3-dipropyl-7H-purine-2,6-quinone Formula: C26H38N6O3 MolecularWeight: 482.61832

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C34CC5CC(C3)CC(C5)(C4)C(=O)N6CCNCC6

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C34CC5CC(C3)CC(C5)(C4)C(=O)N6CCNCC6

InChI

InChI=1S/C26H38N6O3/c1-3-7-31-20-19(21(33)32(8-4-2)24(31)35)28-22(29-20)25-12-17-11-18(13-25)15-26(14-17,16-25)23(34)30-9-5-27-6-10-30/h17-18,27H,3-16H2,1-2H3,(H,28,29)