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

Systemtic Name: (2S)-N-(4-methylcyclohexyl)-1-(4-phenylazanylpyrimidin-2-yl)pyrrolidine-2-carboxamide Openeye Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-(4-methylcyclohexyl)pyrrolidine-2-carboxamide CAS Name: (2S)-1-(4-anilino-2-pyrimidinyl)-N-(4-methylcyclohexyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-(4-methylcyclohexyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-(4-methylcyclohexyl)pyrrolidine-2-carboxamide Formula: C22H29N5O MolecularWeight: 379.49856

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)C2CCCN2C3=NC=CC(=N3)NC4=CC=CC=C4

Isomeric SMILES

CC1CCC(CC1)NC(=O)[C@@H]2CCCN2C3=NC=CC(=N3)NC4=CC=CC=C4

InChI

InChI=1S/C22H29N5O/c1-16-9-11-18(12-10-16)25-21(28)19-8-5-15-27(19)22-23-14-13-20(26-22)24-17-6-3-2-4-7-17/h2-4,6-7,13-14,16,18-19H,5,8-12,15H2,1H3,(H,25,28)(H,23,24,26)/t16?,18?,19-/m0/s1