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

Systemtic Name: 9-(2-bromanyl-4-propan-2-yl-phenyl)-N-butyl-8-(cyclopropylmethoxy)-N-ethyl-2-methyl-purin-6-amine Openeye Name: 9-(2-bromo-4-isopropyl-phenyl)-N-butyl-8-(cyclopropylmethoxy)-N-ethyl-2-methyl-purin-6-amine CAS Name: 9-(2-bromo-4-propan-2-ylphenyl)-N-butyl-8-(cyclopropylmethoxy)-N-ethyl-2-methyl-6-purinamine IUPAC Name: 9-(2-bromo-4-propan-2-ylphenyl)-N-butyl-8-(cyclopropylmethoxy)-N-ethyl-2-methylpurin-6-amine Traditional Name: [9-(2-bromo-4-isopropyl-phenyl)-8-(cyclopropylmethoxy)-2-methyl-purin-6-yl]-butyl-ethyl-amine Formula: C25H34BrN5O MolecularWeight: 500.47436

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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)OCC4CC4)C

Isomeric SMILES

CCCCN(CC)C1=NC(=NC2=C1N=C(N2C3=C(C=C(C=C3)C(C)C)Br)OCC4CC4)C

InChI

InChI=1S/C25H34BrN5O/c1-6-8-13-30(7-2)23-22-24(28-17(5)27-23)31(25(29-22)32-15-18-9-10-18)21-12-11-19(16(3)4)14-20(21)26/h11-12,14,16,18H,6-10,13,15H2,1-5H3