(2S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(4-phenylazanylpyrimidin-2-yl)pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(4-phenylazanylpyrimidin-2-yl)pyrrolidine-2-carboxamide Openeye Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-[2-(cyclohexen-1-yl)ethyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-(4-anilino-2-pyrimidinyl)-N-[2-(1-cyclohexenyl)ethyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-[2-(cyclohexen-1-yl)ethyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-[2-(cyclohexen-1-yl)ethyl]pyrrolidine-2-carboxamide Formula: C23H29N5O MolecularWeight: 391.50926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)C2CCCN2C3=NC=CC(=N3)NC4=CC=CC=C4

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)[C@@H]2CCCN2C3=NC=CC(=N3)NC4=CC=CC=C4

InChI

InChI=1S/C23H29N5O/c29-22(24-15-13-18-8-3-1-4-9-18)20-12-7-17-28(20)23-25-16-14-21(27-23)26-19-10-5-2-6-11-19/h2,5-6,8,10-11,14,16,20H,1,3-4,7,9,12-13,15,17H2,(H,24,29)(H,25,26,27)/t20-/m0/s1