2-[[6-[(3-chlorophenyl)amino]-9-ethyl-purin-2-yl]amino]ethanethial

Systemtic Name: 2-[[6-[(3-chlorophenyl)amino]-9-ethyl-purin-2-yl]amino]ethanethial Openeye Name: 2-[[6-(3-chloroanilino)-9-ethyl-purin-2-yl]amino]ethanethial CAS Name: 2-[[6-(3-chloroanilino)-9-ethyl-2-purinyl]amino]ethanethial IUPAC Name: 2-[[6-(3-chloroanilino)-9-ethylpurin-2-yl]amino]ethanethial Traditional Name: 2-[[6-(3-chloroanilino)-9-ethyl-purin-2-yl]amino]thioacetaldehyde Formula: C15H15ClN6S MolecularWeight: 346.8378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)Cl)NCC=S

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)Cl)NCC=S

InChI

InChI=1S/C15H15ClN6S/c1-2-22-9-18-12-13(19-11-5-3-4-10(16)8-11)20-15(17-6-7-23)21-14(12)22/h3-5,7-9H,2,6H2,1H3,(H2,17,19,20,21)