8-bromanyl-9-(cyclohexylmethyl)-2-(3-phenylpropoxy)purin-6-amine

Systemtic Name: 8-bromanyl-9-(cyclohexylmethyl)-2-(3-phenylpropoxy)purin-6-amine Openeye Name: 8-bromo-9-(cyclohexylmethyl)-2-(3-phenylpropoxy)purin-6-amine CAS Name: 8-bromo-9-(cyclohexylmethyl)-2-(3-phenylpropoxy)-6-purinamine IUPAC Name: 8-bromo-9-(cyclohexylmethyl)-2-(3-phenylpropoxy)purin-6-amine Traditional Name: [8-bromo-9-(cyclohexylmethyl)-2-(3-phenylpropoxy)purin-6-yl]amine Formula: C21H26BrN5O MolecularWeight: 444.36804

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2C3=C(C(=NC(=N3)OCCCC4=CC=CC=C4)N)N=C2Br

Isomeric SMILES

C1CCC(CC1)CN2C3=C(C(=NC(=N3)OCCCC4=CC=CC=C4)N)N=C2Br

InChI

InChI=1S/C21H26BrN5O/c22-20-24-17-18(23)25-21(28-13-7-12-15-8-3-1-4-9-15)26-19(17)27(20)14-16-10-5-2-6-11-16/h1,3-4,8-9,16H,2,5-7,10-14H2,(H2,23,25,26)