3-cyclohexyl-N-(2,3-dihydro-1-benzofuran-3-yl)-2-[[2-(methylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]propanamide

Systemtic Name: 3-cyclohexyl-N-(2,3-dihydro-1-benzofuran-3-yl)-2-[[2-(methylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]propanamide Openeye Name: 3-cyclohexyl-N-(2,3-dihydrobenzofuran-3-yl)-2-[[2-(methylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]propanamide CAS Name: 3-cyclohexyl-N-(2,3-dihydrobenzofuran-3-yl)-2-[[2-(methylamino)-6-(1-pyrrolyl)-4-pyrimidinyl]amino]propanamide IUPAC Name: 3-cyclohexyl-N-(2,3-dihydro-1-benzofuran-3-yl)-2-[[2-(methylamino)-6-pyrrol-1-ylpyrimidin-4-yl]amino]propanamide Traditional Name: N-coumaran-3-yl-3-cyclohexyl-2-[[2-(methylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]propionamide Formula: C26H32N6O2 MolecularWeight: 460.57128

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=CC(=N1)NC(CC2CCCCC2)C(=O)NC3COC4=CC=CC=C34)N5C=CC=C5

Isomeric SMILES

CNC1=NC(=CC(=N1)NC(CC2CCCCC2)C(=O)NC3COC4=CC=CC=C34)N5C=CC=C5

InChI

InChI=1S/C26H32N6O2/c1-27-26-30-23(16-24(31-26)32-13-7-8-14-32)28-20(15-18-9-3-2-4-10-18)25(33)29-21-17-34-22-12-6-5-11-19(21)22/h5-8,11-14,16,18,20-21H,2-4,9-10,15,17H2,1H3,(H,29,33)(H2,27,28,30,31)