(2S)-1-[9-(4-chlorophenyl)-2-cyano-purin-6-yl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[9-(4-chlorophenyl)-2-cyano-purin-6-yl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[9-(4-chlorophenyl)-2-cyano-purin-6-yl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[9-(4-chlorophenyl)-2-cyano-6-purinyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[9-(4-chlorophenyl)-2-cyanopurin-6-yl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[9-(4-chlorophenyl)-2-cyano-purin-6-yl]pyrrolidine-2-carboxamide Formula: C17H14ClN7O MolecularWeight: 367.79236

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=NC(=NC3=C2N=CN3C4=CC=C(C=C4)Cl)C#N)C(=O)N

Isomeric SMILES

C1C[C@H](N(C1)C2=NC(=NC3=C2N=CN3C4=CC=C(C=C4)Cl)C#N)C(=O)N

InChI

InChI=1S/C17H14ClN7O/c18-10-3-5-11(6-4-10)25-9-21-14-16(22-13(8-19)23-17(14)25)24-7-1-2-12(24)15(20)26/h3-6,9,12H,1-2,7H2,(H2,20,26)/t12-/m0/s1