8-bromanyl-9-(2-methylpropyl)-N2-(3-phenylpropyl)purine-2,6-diamine

Systemtic Name: 8-bromanyl-9-(2-methylpropyl)-N2-(3-phenylpropyl)purine-2,6-diamine Openeye Name: 8-bromo-9-isobutyl-N2-(3-phenylpropyl)purine-2,6-diamine CAS Name: 8-bromo-9-(2-methylpropyl)-N2-(3-phenylpropyl)purine-2,6-diamine IUPAC Name: 8-bromo-9-(2-methylpropyl)-2-N-(3-phenylpropyl)purine-2,6-diamine Traditional Name: (6-amino-8-bromo-9-isobutyl-purin-2-yl)-(3-phenylpropyl)amine Formula: C18H23BrN6 MolecularWeight: 403.31942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=NC(=N2)NCCCC3=CC=CC=C3)N)N=C1Br

Isomeric SMILES

CC(C)CN1C2=C(C(=NC(=N2)NCCCC3=CC=CC=C3)N)N=C1Br

InChI

InChI=1S/C18H23BrN6/c1-12(2)11-25-16-14(22-17(25)19)15(20)23-18(24-16)21-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3,(H3,20,21,23,24)