N2-butyl-9-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]purine-2,6-diamine

Systemtic Name: N2-butyl-9-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]purine-2,6-diamine Openeye Name: N2-butyl-9-[(6-chloro-1,3-benzodioxol-5-yl)methyl]purine-2,6-diamine CAS Name: N2-butyl-9-[(6-chloro-1,3-benzodioxol-5-yl)methyl]purine-2,6-diamine IUPAC Name: 2-N-butyl-9-[(6-chloro-1,3-benzodioxol-5-yl)methyl]purine-2,6-diamine Traditional Name: [6-amino-9-[(6-chloro-1,3-benzodioxol-5-yl)methyl]purin-2-yl]-butyl-amine Formula: C17H19ClN6O2 MolecularWeight: 374.82476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(C(=N1)N)N=CN2CC3=CC4=C(C=C3Cl)OCO4

Isomeric SMILES

CCCCNC1=NC2=C(C(=N1)N)N=CN2CC3=CC4=C(C=C3Cl)OCO4

InChI

InChI=1S/C17H19ClN6O2/c1-2-3-4-20-17-22-15(19)14-16(23-17)24(8-21-14)7-10-5-12-13(6-11(10)18)26-9-25-12/h5-6,8H,2-4,7,9H2,1H3,(H3,19,20,22,23)