(2S)-N-(3-imidazol-1-ylpropyl)-1-(4-phenylazanylpyrimidin-2-yl)pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-(3-imidazol-1-ylpropyl)-1-(4-phenylazanylpyrimidin-2-yl)pyrrolidine-2-carboxamide Openeye Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide CAS Name: (2S)-1-(4-anilino-2-pyrimidinyl)-N-[3-(1-imidazolyl)propyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide Formula: C21H25N7O MolecularWeight: 391.4695

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=NC=CC(=N2)NC3=CC=CC=C3)C(=O)NCCCN4C=CN=C4

Isomeric SMILES

C1C[C@H](N(C1)C2=NC=CC(=N2)NC3=CC=CC=C3)C(=O)NCCCN4C=CN=C4

InChI

InChI=1S/C21H25N7O/c29-20(23-10-5-13-27-15-12-22-16-27)18-8-4-14-28(18)21-24-11-9-19(26-21)25-17-6-2-1-3-7-17/h1-3,6-7,9,11-12,15-16,18H,4-5,8,10,13-14H2,(H,23,29)(H,24,25,26)/t18-/m0/s1