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

Systemtic Name: 8-bromanyl-N2-phenethyl-9-(1-pyridin-4-ylpropyl)purine-2,6-diamine Openeye Name: 8-bromo-N2-phenethyl-9-[1-(4-pyridyl)propyl]purine-2,6-diamine CAS Name: 8-bromo-N2-phenethyl-9-(1-pyridin-4-ylpropyl)purine-2,6-diamine IUPAC Name: 8-bromo-2-N-phenethyl-9-(1-pyridin-4-ylpropyl)purine-2,6-diamine Traditional Name: [6-amino-8-bromo-9-[1-(4-pyridyl)propyl]purin-2-yl]-phenethyl-amine Formula: C21H22BrN7 MolecularWeight: 452.35028

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=NC=C1)N2C3=C(C(=NC(=N3)NCCC4=CC=CC=C4)N)N=C2Br

Isomeric SMILES

CCC(C1=CC=NC=C1)N2C3=C(C(=NC(=N3)NCCC4=CC=CC=C4)N)N=C2Br

InChI

InChI=1S/C21H22BrN7/c1-2-16(15-9-11-24-12-10-15)29-19-17(26-20(29)22)18(23)27-21(28-19)25-13-8-14-6-4-3-5-7-14/h3-7,9-12,16H,2,8,13H2,1H3,(H3,23,25,27,28)