9-butyl-8-[(2-chloranyl-3,4,5-trimethoxy-phenyl)methyl]purin-6-amine

Systemtic Name: 9-butyl-8-[(2-chloranyl-3,4,5-trimethoxy-phenyl)methyl]purin-6-amine Openeye Name: 9-butyl-8-[(2-chloro-3,4,5-trimethoxy-phenyl)methyl]purin-6-amine CAS Name: 9-butyl-8-[(2-chloro-3,4,5-trimethoxyphenyl)methyl]-6-purinamine IUPAC Name: 9-butyl-8-[(2-chloro-3,4,5-trimethoxyphenyl)methyl]purin-6-amine Traditional Name: [9-butyl-8-(2-chloro-3,4,5-trimethoxy-benzyl)purin-6-yl]amine Formula: C19H24ClN5O3 MolecularWeight: 405.87856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1N=CN=C2N)CC3=CC(=C(C(=C3Cl)OC)OC)OC

Isomeric SMILES

CCCCN1C(=NC2=C1N=CN=C2N)CC3=CC(=C(C(=C3Cl)OC)OC)OC

InChI

InChI=1S/C19H24ClN5O3/c1-5-6-7-25-13(24-15-18(21)22-10-23-19(15)25)9-11-8-12(26-2)16(27-3)17(28-4)14(11)20/h8,10H,5-7,9H2,1-4H3,(H2,21,22,23)