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

Systemtic Name: N2-butyl-9-[(6-chloranyl-2-methyl-pyridin-3-yl)methyl]purine-2,6-diamine Openeye Name: N2-butyl-9-[(6-chloro-2-methyl-3-pyridyl)methyl]purine-2,6-diamine CAS Name: N2-butyl-9-[(6-chloro-2-methyl-3-pyridinyl)methyl]purine-2,6-diamine IUPAC Name: 2-N-butyl-9-[(6-chloro-2-methylpyridin-3-yl)methyl]purine-2,6-diamine Traditional Name: [6-amino-9-[(6-chloro-2-methyl-3-pyridyl)methyl]purin-2-yl]-butyl-amine Formula: C16H20ClN7 MolecularWeight: 345.8299

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClN7/c1-3-4-7-19-16-22-14(18)13-15(23-16)24(9-20-13)8-11-5-6-12(17)21-10(11)2/h5-6,9H,3-4,7-8H2,1-2H3,(H3,18,19,22,23)