7-[(2-chloranyl-5-methoxy-phenyl)methyl]-8-(hexylamino)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(2-chloranyl-5-methoxy-phenyl)methyl]-8-(hexylamino)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2-chloro-5-methoxy-phenyl)methyl]-8-(hexylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2-chloro-5-methoxyphenyl)methyl]-8-(hexylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2-chloro-5-methoxyphenyl)methyl]-8-(hexylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-chloro-5-methoxy-benzyl)-8-(hexylamino)-1,3-dimethyl-xanthine Formula: C21H28ClN5O3 MolecularWeight: 433.93172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=NC2=C(N1CC3=C(C=CC(=C3)OC)Cl)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCCCNC1=NC2=C(N1CC3=C(C=CC(=C3)OC)Cl)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C21H28ClN5O3/c1-5-6-7-8-11-23-20-24-18-17(19(28)26(3)21(29)25(18)2)27(20)13-14-12-15(30-4)9-10-16(14)22/h9-10,12H,5-8,11,13H2,1-4H3,(H,23,24)