N-[4-methyl-3-[[6-(3-pyrrolidin-1-ylpropylamino)pyrimidin-4-yl]amino]phenyl]-2-morpholin-4-yl-pyridine-4-carboxamide

Systemtic Name: N-[4-methyl-3-[[6-(3-pyrrolidin-1-ylpropylamino)pyrimidin-4-yl]amino]phenyl]-2-morpholin-4-yl-pyridine-4-carboxamide Openeye Name: N-[4-methyl-3-[[6-(3-pyrrolidin-1-ylpropylamino)pyrimidin-4-yl]amino]phenyl]-2-morpholino-pyridine-4-carboxamide CAS Name: N-[4-methyl-3-[[6-[3-(1-pyrrolidinyl)propylamino]-4-pyrimidinyl]amino]phenyl]-2-(4-morpholinyl)-4-pyridinecarboxamide IUPAC Name: N-[4-methyl-3-[[6-(3-pyrrolidin-1-ylpropylamino)pyrimidin-4-yl]amino]phenyl]-2-morpholin-4-ylpyridine-4-carboxamide Traditional Name: N-[4-methyl-3-[[6-(3-pyrrolidinopropylamino)pyrimidin-4-yl]amino]phenyl]-2-morpholino-isonicotinamide Formula: C28H36N8O2 MolecularWeight: 516.63784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=NC=C2)N3CCOCC3)NC4=CC(=NC=N4)NCCCN5CCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=NC=C2)N3CCOCC3)NC4=CC(=NC=N4)NCCCN5CCCC5

InChI

InChI=1S/C28H36N8O2/c1-21-5-6-23(33-28(37)22-7-9-30-27(17-22)36-13-15-38-16-14-36)18-24(21)34-26-19-25(31-20-32-26)29-8-4-12-35-10-2-3-11-35/h5-7,9,17-20H,2-4,8,10-16H2,1H3,(H,33,37)(H2,29,31,32,34)