(2S)-N-[(2R)-3,3-dimethylbutan-2-yl]-1-(4-phenylazanylpyrimidin-2-yl)pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(2R)-3,3-dimethylbutan-2-yl]-1-(4-phenylazanylpyrimidin-2-yl)pyrrolidine-2-carboxamide Openeye Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-[(1R)-1,2,2-trimethylpropyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-(4-anilino-2-pyrimidinyl)-N-[(2R)-3,3-dimethylbutan-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-[(2R)-3,3-dimethylbutan-2-yl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-[(1R)-1,2,2-trimethylpropyl]pyrrolidine-2-carboxamide Formula: C21H29N5O MolecularWeight: 367.48786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O/c1-15(21(2,3)4)23-19(27)17-11-8-14-26(17)20-22-13-12-18(25-20)24-16-9-6-5-7-10-16/h5-7,9-10,12-13,15,17H,8,11,14H2,1-4H3,(H,23,27)(H,22,24,25)/t15-,17+/m1/s1