3-[[2-[4-(3-chloranyl-5-pyrrolidin-1-ylcarbonyl-pyridin-2-yl)piperazin-1-yl]pyrimidin-4-yl]amino]propanamide

Systemtic Name: 3-[[2-[4-(3-chloranyl-5-pyrrolidin-1-ylcarbonyl-pyridin-2-yl)piperazin-1-yl]pyrimidin-4-yl]amino]propanamide Openeye Name: 3-[[2-[4-[3-chloro-5-(pyrrolidine-1-carbonyl)-2-pyridyl]piperazin-1-yl]pyrimidin-4-yl]amino]propanamide CAS Name: 3-[[2-[4-[3-chloro-5-[oxo(1-pyrrolidinyl)methyl]-2-pyridinyl]-1-piperazinyl]-4-pyrimidinyl]amino]propanamide IUPAC Name: 3-[[2-[4-[3-chloro-5-(pyrrolidine-1-carbonyl)pyridin-2-yl]piperazin-1-yl]pyrimidin-4-yl]amino]propanamide Traditional Name: 3-[[2-[4-[3-chloro-5-(pyrrolidine-1-carbonyl)-2-pyridyl]piperazino]pyrimidin-4-yl]amino]propionamide Formula: C21H27ClN8O2 MolecularWeight: 458.94448

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC(=C(N=C2)N3CCN(CC3)C4=NC=CC(=N4)NCCC(=O)N)Cl

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC(=C(N=C2)N3CCN(CC3)C4=NC=CC(=N4)NCCC(=O)N)Cl

InChI

InChI=1S/C21H27ClN8O2/c22-16-13-15(20(32)29-7-1-2-8-29)14-26-19(16)28-9-11-30(12-10-28)21-25-6-4-18(27-21)24-5-3-17(23)31/h4,6,13-14H,1-3,5,7-12H2,(H2,23,31)(H,24,25,27)