9-(2-bromanyl-4-propan-2-yl-phenyl)-N,N-bis(2-methoxyethyl)-2,8-dimethyl-purin-6-amine

Systemtic Name: 9-(2-bromanyl-4-propan-2-yl-phenyl)-N,N-bis(2-methoxyethyl)-2,8-dimethyl-purin-6-amine Openeye Name: 9-(2-bromo-4-isopropyl-phenyl)-N,N-bis(2-methoxyethyl)-2,8-dimethyl-purin-6-amine CAS Name: 9-(2-bromo-4-propan-2-ylphenyl)-N,N-bis(2-methoxyethyl)-2,8-dimethyl-6-purinamine IUPAC Name: 9-(2-bromo-4-propan-2-ylphenyl)-N,N-bis(2-methoxyethyl)-2,8-dimethylpurin-6-amine Traditional Name: [9-(2-bromo-4-isopropyl-phenyl)-2,8-dimethyl-purin-6-yl]-bis(2-methoxyethyl)amine Formula: C22H30BrN5O2 MolecularWeight: 476.4099

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N(CCOC)CCOC)N=C(N2C3=C(C=C(C=C3)C(C)C)Br)C

Isomeric SMILES

CC1=NC2=C(C(=N1)N(CCOC)CCOC)N=C(N2C3=C(C=C(C=C3)C(C)C)Br)C

InChI

InChI=1S/C22H30BrN5O2/c1-14(2)17-7-8-19(18(23)13-17)28-16(4)26-20-21(24-15(3)25-22(20)28)27(9-11-29-5)10-12-30-6/h7-8,13-14H,9-12H2,1-6H3