N2-butyl-9-(pyridin-3-ylmethyl)purine-2,6-diamine

Systemtic Name: N2-butyl-9-(pyridin-3-ylmethyl)purine-2,6-diamine Openeye Name: N2-butyl-9-(3-pyridylmethyl)purine-2,6-diamine CAS Name: N2-butyl-9-(3-pyridinylmethyl)purine-2,6-diamine IUPAC Name: 2-N-butyl-9-(pyridin-3-ylmethyl)purine-2,6-diamine Traditional Name: [6-amino-9-(3-pyridylmethyl)purin-2-yl]-butyl-amine Formula: C15H19N7 MolecularWeight: 297.35826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N7/c1-2-3-7-18-15-20-13(16)12-14(21-15)22(10-19-12)9-11-5-4-6-17-8-11/h4-6,8,10H,2-3,7,9H2,1H3,(H3,16,18,20,21)