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

Systemtic Name: (2S)-1-(4-phenylazanylpyrimidin-2-yl)-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide Openeye Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-(4-pyridylmethyl)pyrrolidine-2-carboxamide CAS Name: (2S)-1-(4-anilino-2-pyrimidinyl)-N-(pyridin-4-ylmethyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-(4-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=CC=NC=C4

Isomeric SMILES

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

InChI

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