3-[[6-(1-adamantylamino)-9-propan-2-yl-purin-2-yl]amino]propan-1-ol

Systemtic Name: 3-[[6-(1-adamantylamino)-9-propan-2-yl-purin-2-yl]amino]propan-1-ol Openeye Name: 3-[[6-(1-adamantylamino)-9-isopropyl-purin-2-yl]amino]propan-1-ol CAS Name: 3-[[6-(1-adamantylamino)-9-propan-2-yl-2-purinyl]amino]-1-propanol IUPAC Name: 3-[[6-(1-adamantylamino)-9-propan-2-ylpurin-2-yl]amino]propan-1-ol Traditional Name: 3-[[6-(1-adamantylamino)-9-isopropyl-purin-2-yl]amino]propan-1-ol Formula: C21H32N6O MolecularWeight: 384.51838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NC34CC5CC(C3)CC(C5)C4)NCCCO

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NC34CC5CC(C3)CC(C5)C4)NCCCO

InChI

InChI=1S/C21H32N6O/c1-13(2)27-12-23-17-18(24-20(25-19(17)27)22-4-3-5-28)26-21-9-14-6-15(10-21)8-16(7-14)11-21/h12-16,28H,3-11H2,1-2H3,(H2,22,24,25,26)