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

Systemtic Name: (2S)-1-(4-phenylazanylpyrimidin-2-yl)-N-(2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide Openeye Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-[2-(1-piperidyl)ethyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-(4-anilino-2-pyrimidinyl)-N-[2-(1-piperidinyl)ethyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-(2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-(2-piperidinoethyl)pyrrolidine-2-carboxamide Formula: C22H30N6O MolecularWeight: 394.5132

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC(=O)C2CCCN2C3=NC=CC(=N3)NC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)CCNC(=O)[C@@H]2CCCN2C3=NC=CC(=N3)NC4=CC=CC=C4

InChI

InChI=1S/C22H30N6O/c29-21(23-13-17-27-14-5-2-6-15-27)19-10-7-16-28(19)22-24-12-11-20(26-22)25-18-8-3-1-4-9-18/h1,3-4,8-9,11-12,19H,2,5-7,10,13-17H2,(H,23,29)(H,24,25,26)/t19-/m0/s1