(2S)-N-(2-methylbutyl)-1-(4-phenylazanylpyrimidin-2-yl)pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-(2-methylbutyl)-1-(4-phenylazanylpyrimidin-2-yl)pyrrolidine-2-carboxamide Openeye Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-(2-methylbutyl)pyrrolidine-2-carboxamide CAS Name: (2S)-1-(4-anilino-2-pyrimidinyl)-N-(2-methylbutyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-(2-methylbutyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-(2-methylbutyl)pyrrolidine-2-carboxamide Formula: C20H27N5O MolecularWeight: 353.46128

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CNC(=O)C1CCCN1C2=NC=CC(=N2)NC3=CC=CC=C3

Isomeric SMILES

CCC(C)CNC(=O)[C@@H]1CCCN1C2=NC=CC(=N2)NC3=CC=CC=C3

InChI

InChI=1S/C20H27N5O/c1-3-15(2)14-22-19(26)17-10-7-13-25(17)20-21-12-11-18(24-20)23-16-8-5-4-6-9-16/h4-6,8-9,11-12,15,17H,3,7,10,13-14H2,1-2H3,(H,22,26)(H,21,23,24)/t15?,17-/m0/s1