9-(2-bromanyl-4-propan-2-yl-phenyl)-N-butyl-N-ethyl-2-methyl-8-morpholin-4-yl-purin-6-amine

Systemtic Name: 9-(2-bromanyl-4-propan-2-yl-phenyl)-N-butyl-N-ethyl-2-methyl-8-morpholin-4-yl-purin-6-amine Openeye Name: 9-(2-bromo-4-isopropyl-phenyl)-N-butyl-N-ethyl-2-methyl-8-morpholino-purin-6-amine CAS Name: 9-(2-bromo-4-propan-2-ylphenyl)-N-butyl-N-ethyl-2-methyl-8-(4-morpholinyl)-6-purinamine IUPAC Name: 9-(2-bromo-4-propan-2-ylphenyl)-N-butyl-N-ethyl-2-methyl-8-morpholin-4-ylpurin-6-amine Traditional Name: [9-(2-bromo-4-isopropyl-phenyl)-2-methyl-8-morpholino-purin-6-yl]-butyl-ethyl-amine Formula: C25H35BrN6O MolecularWeight: 515.489

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC)C1=NC(=NC2=C1N=C(N2C3=C(C=C(C=C3)C(C)C)Br)N4CCOCC4)C

Isomeric SMILES

CCCCN(CC)C1=NC(=NC2=C1N=C(N2C3=C(C=C(C=C3)C(C)C)Br)N4CCOCC4)C

InChI

InChI=1S/C25H35BrN6O/c1-6-8-11-30(7-2)23-22-24(28-18(5)27-23)32(25(29-22)31-12-14-33-15-13-31)21-10-9-19(17(3)4)16-20(21)26/h9-10,16-17H,6-8,11-15H2,1-5H3