(2S)-N-[(3-methylphenyl)methyl]-1-(4-phenylazanylpyrimidin-2-yl)pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(3-methylphenyl)methyl]-1-(4-phenylazanylpyrimidin-2-yl)pyrrolidine-2-carboxamide Openeye Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-(m-tolylmethyl)pyrrolidine-2-carboxamide CAS Name: (2S)-1-(4-anilino-2-pyrimidinyl)-N-[(3-methylphenyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-(3-methylbenzyl)pyrrolidine-2-carboxamide Formula: C23H25N5O MolecularWeight: 387.4775

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNC(=O)C2CCCN2C3=NC=CC(=N3)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)CNC(=O)[C@@H]2CCCN2C3=NC=CC(=N3)NC4=CC=CC=C4

InChI

InChI=1S/C23H25N5O/c1-17-7-5-8-18(15-17)16-25-22(29)20-11-6-14-28(20)23-24-13-12-21(27-23)26-19-9-3-2-4-10-19/h2-5,7-10,12-13,15,20H,6,11,14,16H2,1H3,(H,25,29)(H,24,26,27)/t20-/m0/s1