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

Systemtic Name: 8-bromanyl-9-(cyclohexylmethyl)-N2-(3-phenylpropyl)purine-2,6-diamine Openeye Name: 8-bromo-9-(cyclohexylmethyl)-N2-(3-phenylpropyl)purine-2,6-diamine CAS Name: 8-bromo-9-(cyclohexylmethyl)-N2-(3-phenylpropyl)purine-2,6-diamine IUPAC Name: 8-bromo-9-(cyclohexylmethyl)-2-N-(3-phenylpropyl)purine-2,6-diamine Traditional Name: [6-amino-8-bromo-9-(cyclohexylmethyl)purin-2-yl]-(3-phenylpropyl)amine Formula: C21H27BrN6 MolecularWeight: 443.38328

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2C3=C(C(=NC(=N3)NCCCC4=CC=CC=C4)N)N=C2Br

Isomeric SMILES

C1CCC(CC1)CN2C3=C(C(=NC(=N3)NCCCC4=CC=CC=C4)N)N=C2Br

InChI

InChI=1S/C21H27BrN6/c22-20-25-17-18(23)26-21(24-13-7-12-15-8-3-1-4-9-15)27-19(17)28(20)14-16-10-5-2-6-11-16/h1,3-4,8-9,16H,2,5-7,10-14H2,(H3,23,24,26,27)