N2-butyl-9-[(4-chloranylpyridin-3-yl)methyl]purine-2,6-diamine

Systemtic Name: N2-butyl-9-[(4-chloranylpyridin-3-yl)methyl]purine-2,6-diamine Openeye Name: N2-butyl-9-[(4-chloro-3-pyridyl)methyl]purine-2,6-diamine CAS Name: N2-butyl-9-[(4-chloro-3-pyridinyl)methyl]purine-2,6-diamine IUPAC Name: 2-N-butyl-9-[(4-chloropyridin-3-yl)methyl]purine-2,6-diamine Traditional Name: [6-amino-9-[(4-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(C=CN=C3)Cl

Isomeric SMILES

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

InChI

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