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

Systemtic Name: 8-bromanyl-2-phenethyloxy-9-(1-pyridin-4-ylpropyl)purin-6-amine Openeye Name: 8-bromo-2-phenethyloxy-9-[1-(4-pyridyl)propyl]purin-6-amine CAS Name: 8-bromo-2-phenethyloxy-9-(1-pyridin-4-ylpropyl)-6-purinamine IUPAC Name: 8-bromo-2-phenethyloxy-9-(1-pyridin-4-ylpropyl)purin-6-amine Traditional Name: [8-bromo-2-phenethyloxy-9-[1-(4-pyridyl)propyl]purin-6-yl]amine Formula: C21H21BrN6O MolecularWeight: 453.33504

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=NC=C1)N2C3=C(C(=NC(=N3)OCCC4=CC=CC=C4)N)N=C2Br

Isomeric SMILES

CCC(C1=CC=NC=C1)N2C3=C(C(=NC(=N3)OCCC4=CC=CC=C4)N)N=C2Br

InChI

InChI=1S/C21H21BrN6O/c1-2-16(15-8-11-24-12-9-15)28-19-17(25-20(28)22)18(23)26-21(27-19)29-13-10-14-6-4-3-5-7-14/h3-9,11-12,16H,2,10,13H2,1H3,(H2,23,26,27)