1-[6-[(3-chlorophenyl)amino]-9-ethyl-purin-2-yl]pyrrolidine-2-carboxamide

Systemtic Name: 1-[6-[(3-chlorophenyl)amino]-9-ethyl-purin-2-yl]pyrrolidine-2-carboxamide Openeye Name: 1-[6-(3-chloroanilino)-9-ethyl-purin-2-yl]pyrrolidine-2-carboxamide CAS Name: 1-[6-(3-chloroanilino)-9-ethyl-2-purinyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-[6-(3-chloroanilino)-9-ethylpurin-2-yl]pyrrolidine-2-carboxamide Traditional Name: 1-[6-(3-chloroanilino)-9-ethyl-purin-2-yl]pyrrolidine-2-carboxamide Formula: C18H20ClN7O MolecularWeight: 385.8507

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)Cl)N4CCCC4C(=O)N

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)Cl)N4CCCC4C(=O)N

InChI

InChI=1S/C18H20ClN7O/c1-2-25-10-21-14-16(22-12-6-3-5-11(19)9-12)23-18(24-17(14)25)26-8-4-7-13(26)15(20)27/h3,5-6,9-10,13H,2,4,7-8H2,1H3,(H2,20,27)(H,22,23,24)