9-[[2,6-bis(chloranyl)pyridin-3-yl]methyl]-8-bromanyl-N2-butyl-purine-2,6-diamine

Systemtic Name: 9-[[2,6-bis(chloranyl)pyridin-3-yl]methyl]-8-bromanyl-N2-butyl-purine-2,6-diamine Openeye Name: 8-bromo-N2-butyl-9-[(2,6-dichloro-3-pyridyl)methyl]purine-2,6-diamine CAS Name: 8-bromo-N2-butyl-9-[(2,6-dichloro-3-pyridinyl)methyl]purine-2,6-diamine IUPAC Name: 8-bromo-2-N-butyl-9-[(2,6-dichloropyridin-3-yl)methyl]purine-2,6-diamine Traditional Name: [6-amino-8-bromo-9-[(2,6-dichloro-3-pyridyl)methyl]purin-2-yl]-butyl-amine Formula: C15H16BrCl2N7 MolecularWeight: 445.14444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(C(=N1)N)N=C(N2CC3=C(N=C(C=C3)Cl)Cl)Br

Isomeric SMILES

CCCCNC1=NC2=C(C(=N1)N)N=C(N2CC3=C(N=C(C=C3)Cl)Cl)Br

InChI

InChI=1S/C15H16BrCl2N7/c1-2-3-6-20-15-23-12(19)10-13(24-15)25(14(16)22-10)7-8-4-5-9(17)21-11(8)18/h4-5H,2-3,6-7H2,1H3,(H3,19,20,23,24)