(2S)-1-(4-phenylazanylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-(4-phenylazanylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide Openeye Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-(3-pyridylmethyl)pyrrolidine-2-carboxamide CAS Name: (2S)-1-(4-anilino-2-pyrimidinyl)-N-(3-pyridinylmethyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-(3-pyridylmethyl)pyrrolidine-2-carboxamide Formula: C21H22N6O MolecularWeight: 374.43898

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=NC=CC(=N2)NC3=CC=CC=C3)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

C1C[C@H](N(C1)C2=NC=CC(=N2)NC3=CC=CC=C3)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C21H22N6O/c28-20(24-15-16-6-4-11-22-14-16)18-9-5-13-27(18)21-23-12-10-19(26-21)25-17-7-2-1-3-8-17/h1-4,6-8,10-12,14,18H,5,9,13,15H2,(H,24,28)(H,23,25,26)/t18-/m0/s1