8-bromanyl-2-(3-phenylpropoxy)-9-(1-pyridin-4-ylpropyl)purin-6-amine

Systemtic Name: 8-bromanyl-2-(3-phenylpropoxy)-9-(1-pyridin-4-ylpropyl)purin-6-amine Openeye Name: 8-bromo-2-(3-phenylpropoxy)-9-[1-(4-pyridyl)propyl]purin-6-amine CAS Name: 8-bromo-2-(3-phenylpropoxy)-9-(1-pyridin-4-ylpropyl)-6-purinamine IUPAC Name: 8-bromo-2-(3-phenylpropoxy)-9-(1-pyridin-4-ylpropyl)purin-6-amine Traditional Name: [8-bromo-2-(3-phenylpropoxy)-9-[1-(4-pyridyl)propyl]purin-6-yl]amine Formula: C22H23BrN6O MolecularWeight: 467.36162

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=NC=C1)N2C3=C(C(=NC(=N3)OCCCC4=CC=CC=C4)N)N=C2Br

Isomeric SMILES

CCC(C1=CC=NC=C1)N2C3=C(C(=NC(=N3)OCCCC4=CC=CC=C4)N)N=C2Br

InChI

InChI=1S/C22H23BrN6O/c1-2-17(16-10-12-25-13-11-16)29-20-18(26-21(29)23)19(24)27-22(28-20)30-14-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-13,17H,2,6,9,14H2,1H3,(H2,24,27,28)