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

Systemtic Name: (2S)-1-(4-phenylazanylpyrimidin-2-yl)-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide Openeye Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-[2-(2-thienyl)ethyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-(4-anilino-2-pyrimidinyl)-N-(2-thiophen-2-ylethyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-[2-(2-thienyl)ethyl]pyrrolidine-2-carboxamide Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=NC=CC(=N2)NC3=CC=CC=C3)C(=O)NCCC4=CC=CS4

Isomeric SMILES

C1C[C@H](N(C1)C2=NC=CC(=N2)NC3=CC=CC=C3)C(=O)NCCC4=CC=CS4

InChI

InChI=1S/C21H23N5OS/c27-20(22-12-10-17-8-5-15-28-17)18-9-4-14-26(18)21-23-13-11-19(25-21)24-16-6-2-1-3-7-16/h1-3,5-8,11,13,15,18H,4,9-10,12,14H2,(H,22,27)(H,23,24,25)/t18-/m0/s1