1-[3-(2-azanylpyrimidin-4-yl)-1-piperidin-3-yl-pyrrolidin-2-yl]-2-(4-chloranylphenoxy)ethanone

Systemtic Name: 1-[3-(2-azanylpyrimidin-4-yl)-1-piperidin-3-yl-pyrrolidin-2-yl]-2-(4-chloranylphenoxy)ethanone Openeye Name: 1-[3-(2-aminopyrimidin-4-yl)-1-(3-piperidyl)pyrrolidin-2-yl]-2-(4-chlorophenoxy)ethanone CAS Name: 1-[3-(2-amino-4-pyrimidinyl)-1-(3-piperidinyl)-2-pyrrolidinyl]-2-(4-chlorophenoxy)ethanone IUPAC Name: 1-[3-(2-aminopyrimidin-4-yl)-1-piperidin-3-ylpyrrolidin-2-yl]-2-(4-chlorophenoxy)ethanone Traditional Name: 1-[3-(2-aminopyrimidin-4-yl)-1-(3-piperidyl)pyrrolidin-2-yl]-2-(4-chlorophenoxy)ethanone Formula: C21H26ClN5O2 MolecularWeight: 415.91644

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)N2CCC(C2C(=O)COC3=CC=C(C=C3)Cl)C4=NC(=NC=C4)N

Isomeric SMILES

C1CC(CNC1)N2CCC(C2C(=O)COC3=CC=C(C=C3)Cl)C4=NC(=NC=C4)N

InChI

InChI=1S/C21H26ClN5O2/c22-14-3-5-16(6-4-14)29-13-19(28)20-17(18-7-10-25-21(23)26-18)8-11-27(20)15-2-1-9-24-12-15/h3-7,10,15,17,20,24H,1-2,8-9,11-13H2,(H2,23,25,26)