4-[6-chloranyl-2-[(3-ethyl-4-methyl-phenyl)amino]purin-9-yl]butyl ethanoate

Systemtic Name: 4-[6-chloranyl-2-[(3-ethyl-4-methyl-phenyl)amino]purin-9-yl]butyl ethanoate Openeye Name: 4-[6-chloro-2-(3-ethyl-4-methyl-anilino)purin-9-yl]butyl acetate CAS Name: acetic acid 4-[6-chloro-2-(3-ethyl-4-methylanilino)-9-purinyl]butyl ester IUPAC Name: 4-[6-chloro-2-(3-ethyl-4-methylanilino)purin-9-yl]butyl acetate Traditional Name: acetic acid 4-[6-chloro-2-(3-ethyl-4-methyl-anilino)purin-9-yl]butyl ester Formula: C20H24ClN5O2 MolecularWeight: 401.88986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)NC2=NC3=C(C(=N2)Cl)N=CN3CCCCOC(=O)C)C

Isomeric SMILES

CCC1=C(C=CC(=C1)NC2=NC3=C(C(=N2)Cl)N=CN3CCCCOC(=O)C)C

InChI

InChI=1S/C20H24ClN5O2/c1-4-15-11-16(8-7-13(15)2)23-20-24-18(21)17-19(25-20)26(12-22-17)9-5-6-10-28-14(3)27/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,23,24,25)