(2S)-N-[2-(azepan-1-yl)ethyl]-1-(4-phenylazanylpyrimidin-2-yl)pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[2-(azepan-1-yl)ethyl]-1-(4-phenylazanylpyrimidin-2-yl)pyrrolidine-2-carboxamide Openeye Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-[2-(azepan-1-yl)ethyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-(4-anilino-2-pyrimidinyl)-N-[2-(1-azepanyl)ethyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-[2-(azepan-1-yl)ethyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-[2-(azepan-1-yl)ethyl]pyrrolidine-2-carboxamide Formula: C23H32N6O MolecularWeight: 408.53978

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCNC(=O)C2CCCN2C3=NC=CC(=N3)NC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)CCNC(=O)[C@@H]2CCCN2C3=NC=CC(=N3)NC4=CC=CC=C4

InChI

InChI=1S/C23H32N6O/c30-22(24-14-18-28-15-6-1-2-7-16-28)20-11-8-17-29(20)23-25-13-12-21(27-23)26-19-9-4-3-5-10-19/h3-5,9-10,12-13,20H,1-2,6-8,11,14-18H2,(H,24,30)(H,25,26,27)/t20-/m0/s1