N2-butyl-9-[(2-chloranylpyridin-3-yl)methyl]purine-2,6-diamine

Systemtic Name: N2-butyl-9-[(2-chloranylpyridin-3-yl)methyl]purine-2,6-diamine Openeye Name: N2-butyl-9-[(2-chloro-3-pyridyl)methyl]purine-2,6-diamine CAS Name: N2-butyl-9-[(2-chloro-3-pyridinyl)methyl]purine-2,6-diamine IUPAC Name: 2-N-butyl-9-[(2-chloropyridin-3-yl)methyl]purine-2,6-diamine Traditional Name: [6-amino-9-[(2-chloro-3-pyridyl)methyl]purin-2-yl]-butyl-amine Formula: C15H18ClN7 MolecularWeight: 331.80332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(C(=N1)N)N=CN2CC3=C(N=CC=C3)Cl

Isomeric SMILES

CCCCNC1=NC2=C(C(=N1)N)N=CN2CC3=C(N=CC=C3)Cl

InChI

InChI=1S/C15H18ClN7/c1-2-3-6-19-15-21-13(17)11-14(22-15)23(9-20-11)8-10-5-4-7-18-12(10)16/h4-5,7,9H,2-3,6,8H2,1H3,(H3,17,19,21,22)