8-bromanyl-N2-cyclohexyl-9-(phenylmethyl)purine-2,6-diamine

Systemtic Name: 8-bromanyl-N2-cyclohexyl-9-(phenylmethyl)purine-2,6-diamine Openeye Name: 9-benzyl-8-bromo-N2-cyclohexyl-purine-2,6-diamine CAS Name: 8-bromo-N2-cyclohexyl-9-(phenylmethyl)purine-2,6-diamine IUPAC Name: 9-benzyl-8-bromo-2-N-cyclohexylpurine-2,6-diamine Traditional Name: (6-amino-9-benzyl-8-bromo-purin-2-yl)-cyclohexyl-amine Formula: C18H21BrN6 MolecularWeight: 401.30354

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NC3=C(C(=N2)N)N=C(N3CC4=CC=CC=C4)Br

Isomeric SMILES

C1CCC(CC1)NC2=NC3=C(C(=N2)N)N=C(N3CC4=CC=CC=C4)Br

InChI

InChI=1S/C18H21BrN6/c19-17-22-14-15(20)23-18(21-13-9-5-2-6-10-13)24-16(14)25(17)11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H3,20,21,23,24)