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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O/c1-15(2)14-16(3)23-20(27)18-10-7-13-26(18)21-22-12-11-19(25-21)24-17-8-5-4-6-9-17/h4-6,8-9,11-12,15-16,18H,7,10,13-14H2,1-3H3,(H,23,27)(H,22,24,25)/t16?,18-/m0/s1