8-bromanyl-N2-(3-phenylpropyl)-9-(1-pyridin-4-ylpropyl)purine-2,6-diamine

Systemtic Name: 8-bromanyl-N2-(3-phenylpropyl)-9-(1-pyridin-4-ylpropyl)purine-2,6-diamine Openeye Name: 8-bromo-N2-(3-phenylpropyl)-9-[1-(4-pyridyl)propyl]purine-2,6-diamine CAS Name: 8-bromo-N2-(3-phenylpropyl)-9-(1-pyridin-4-ylpropyl)purine-2,6-diamine IUPAC Name: 8-bromo-2-N-(3-phenylpropyl)-9-(1-pyridin-4-ylpropyl)purine-2,6-diamine Traditional Name: [6-amino-8-bromo-9-[1-(4-pyridyl)propyl]purin-2-yl]-(3-phenylpropyl)amine Formula: C22H24BrN7 MolecularWeight: 466.37686

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=NC=C1)N2C3=C(C(=NC(=N3)NCCCC4=CC=CC=C4)N)N=C2Br

Isomeric SMILES

CCC(C1=CC=NC=C1)N2C3=C(C(=NC(=N3)NCCCC4=CC=CC=C4)N)N=C2Br

InChI

InChI=1S/C22H24BrN7/c1-2-17(16-10-13-25-14-11-16)30-20-18(27-21(30)23)19(24)28-22(29-20)26-12-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-11,13-14,17H,2,6,9,12H2,1H3,(H3,24,26,28,29)