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

Systemtic Name: 9-(2-bromanyl-4-propan-2-yl-phenyl)-N,N-bis(2-methoxyethyl)-2-methyl-purin-6-amine Openeye Name: 9-(2-bromo-4-isopropyl-phenyl)-N,N-bis(2-methoxyethyl)-2-methyl-purin-6-amine CAS Name: 9-(2-bromo-4-propan-2-ylphenyl)-N,N-bis(2-methoxyethyl)-2-methyl-6-purinamine IUPAC Name: 9-(2-bromo-4-propan-2-ylphenyl)-N,N-bis(2-methoxyethyl)-2-methylpurin-6-amine Traditional Name: [9-(2-bromo-4-isopropyl-phenyl)-2-methyl-purin-6-yl]-bis(2-methoxyethyl)amine Formula: C21H28BrN5O2 MolecularWeight: 462.38332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N(CCOC)CCOC)N=CN2C3=C(C=C(C=C3)C(C)C)Br

Isomeric SMILES

CC1=NC2=C(C(=N1)N(CCOC)CCOC)N=CN2C3=C(C=C(C=C3)C(C)C)Br

InChI

InChI=1S/C21H28BrN5O2/c1-14(2)16-6-7-18(17(22)12-16)27-13-23-19-20(24-15(3)25-21(19)27)26(8-10-28-4)9-11-29-5/h6-7,12-14H,8-11H2,1-5H3