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

Systemtic Name: (2S)-N-(2-oxidanylpropyl)-1-(4-phenylazanylpyrimidin-2-yl)pyrrolidine-2-carboxamide Openeye Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-(2-hydroxypropyl)pyrrolidine-2-carboxamide CAS Name: (2S)-1-(4-anilino-2-pyrimidinyl)-N-(2-hydroxypropyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-(2-hydroxypropyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-(2-hydroxypropyl)pyrrolidine-2-carboxamide Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O2/c1-13(24)12-20-17(25)15-8-5-11-23(15)18-19-10-9-16(22-18)21-14-6-3-2-4-7-14/h2-4,6-7,9-10,13,15,24H,5,8,11-12H2,1H3,(H,20,25)(H,19,21,22)/t13?,15-/m0/s1