N2-butyl-9-[(5-methylpyridin-3-yl)methyl]purine-2,6-diamine

Systemtic Name: N2-butyl-9-[(5-methylpyridin-3-yl)methyl]purine-2,6-diamine Openeye Name: N2-butyl-9-[(5-methyl-3-pyridyl)methyl]purine-2,6-diamine CAS Name: N2-butyl-9-[(5-methyl-3-pyridinyl)methyl]purine-2,6-diamine IUPAC Name: 2-N-butyl-9-[(5-methylpyridin-3-yl)methyl]purine-2,6-diamine Traditional Name: [6-amino-9-[(5-methyl-3-pyridyl)methyl]purin-2-yl]-butyl-amine Formula: C16H21N7 MolecularWeight: 311.38484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N7/c1-3-4-5-19-16-21-14(17)13-15(22-16)23(10-20-13)9-12-6-11(2)7-18-8-12/h6-8,10H,3-5,9H2,1-2H3,(H3,17,19,21,22)