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

Systemtic Name: 8-bromanyl-9-pentyl-N2-(3-phenylpropyl)purine-2,6-diamine Openeye Name: 8-bromo-9-pentyl-N2-(3-phenylpropyl)purine-2,6-diamine CAS Name: 8-bromo-9-pentyl-N2-(3-phenylpropyl)purine-2,6-diamine IUPAC Name: 8-bromo-9-pentyl-2-N-(3-phenylpropyl)purine-2,6-diamine Traditional Name: (6-amino-9-amyl-8-bromo-purin-2-yl)-(3-phenylpropyl)amine Formula: C19H25BrN6 MolecularWeight: 417.346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C(=NC(=N2)NCCCC3=CC=CC=C3)N)N=C1Br

Isomeric SMILES

CCCCCN1C2=C(C(=NC(=N2)NCCCC3=CC=CC=C3)N)N=C1Br

InChI

InChI=1S/C19H25BrN6/c1-2-3-7-13-26-17-15(23-18(26)20)16(21)24-19(25-17)22-12-8-11-14-9-5-4-6-10-14/h4-6,9-10H,2-3,7-8,11-13H2,1H3,(H3,21,22,24,25)