3-cyclohexyl-2-[[2-(methylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-(pyridin-3-ylmethyl)propanamide

Systemtic Name: 3-cyclohexyl-2-[[2-(methylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-(pyridin-3-ylmethyl)propanamide Openeye Name: 3-cyclohexyl-2-[[2-(methylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-(3-pyridylmethyl)propanamide CAS Name: 3-cyclohexyl-2-[[2-(methylamino)-6-(1-pyrrolyl)-4-pyrimidinyl]amino]-N-(3-pyridinylmethyl)propanamide IUPAC Name: 3-cyclohexyl-2-[[2-(methylamino)-6-pyrrol-1-ylpyrimidin-4-yl]amino]-N-(pyridin-3-ylmethyl)propanamide Traditional Name: 3-cyclohexyl-2-[[2-(methylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-(3-pyridylmethyl)propionamide Formula: C24H31N7O MolecularWeight: 433.54924

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=CC(=N1)NC(CC2CCCCC2)C(=O)NCC3=CN=CC=C3)N4C=CC=C4

Isomeric SMILES

CNC1=NC(=CC(=N1)NC(CC2CCCCC2)C(=O)NCC3=CN=CC=C3)N4C=CC=C4

InChI

InChI=1S/C24H31N7O/c1-25-24-29-21(15-22(30-24)31-12-5-6-13-31)28-20(14-18-8-3-2-4-9-18)23(32)27-17-19-10-7-11-26-16-19/h5-7,10-13,15-16,18,20H,2-4,8-9,14,17H2,1H3,(H,27,32)(H2,25,28,29,30)