N-[6-[(4-chlorophenyl)amino]-2-cyano-pyrimidin-4-yl]-2-[(2S)-pyrrolidin-2-yl]ethanamide

Systemtic Name: N-[6-[(4-chlorophenyl)amino]-2-cyano-pyrimidin-4-yl]-2-[(2S)-pyrrolidin-2-yl]ethanamide Openeye Name: N-[6-(4-chloroanilino)-2-cyano-pyrimidin-4-yl]-2-[(2S)-pyrrolidin-2-yl]acetamide CAS Name: N-[6-(4-chloroanilino)-2-cyano-4-pyrimidinyl]-2-[(2S)-2-pyrrolidinyl]acetamide IUPAC Name: N-[6-(4-chloroanilino)-2-cyanopyrimidin-4-yl]-2-[(2S)-pyrrolidin-2-yl]acetamide Traditional Name: N-[6-(4-chloroanilino)-2-cyano-pyrimidin-4-yl]-2-[(2S)-pyrrolidin-2-yl]acetamide Formula: C17H17ClN6O MolecularWeight: 356.80948

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)CC(=O)NC2=NC(=NC(=C2)NC3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

C1C[C@H](NC1)CC(=O)NC2=NC(=NC(=C2)NC3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C17H17ClN6O/c18-11-3-5-12(6-4-11)21-14-9-15(23-16(10-19)22-14)24-17(25)8-13-2-1-7-20-13/h3-6,9,13,20H,1-2,7-8H2,(H2,21,22,23,24,25)/t13-/m0/s1