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

Systemtic Name: (2S)-N-(1-methylpiperidin-4-yl)-1-(4-phenylazanylpyrimidin-2-yl)pyrrolidine-2-carboxamide Openeye Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-(1-methyl-4-piperidyl)pyrrolidine-2-carboxamide CAS Name: (2S)-1-(4-anilino-2-pyrimidinyl)-N-(1-methyl-4-piperidinyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide Traditional Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-(1-methyl-4-piperidyl)pyrrolidine-2-carboxamide Formula: C21H28N6O MolecularWeight: 380.48662

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)NC(=O)C2CCCN2C3=NC=CC(=N3)NC4=CC=CC=C4

Isomeric SMILES

CN1CCC(CC1)NC(=O)[C@@H]2CCCN2C3=NC=CC(=N3)NC4=CC=CC=C4

InChI

InChI=1S/C21H28N6O/c1-26-14-10-17(11-15-26)24-20(28)18-8-5-13-27(18)21-22-12-9-19(25-21)23-16-6-3-2-4-7-16/h2-4,6-7,9,12,17-18H,5,8,10-11,13-15H2,1H3,(H,24,28)(H,22,23,25)/t18-/m0/s1