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

Systemtic Name: 3-cyclohexyl-2-[[2-(methylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)propanamide Openeye Name: 3-cyclohexyl-2-[[2-(methylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)propanamide CAS Name: 3-cyclohexyl-2-[[2-(methylamino)-6-(1-pyrrolyl)-4-pyrimidinyl]amino]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)propanamide IUPAC Name: 3-cyclohexyl-2-[[2-(methylamino)-6-pyrrol-1-ylpyrimidin-4-yl]amino]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)propanamide Traditional Name: 3-cyclohexyl-2-[[2-(methylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)propionamide Formula: C28H37N7O MolecularWeight: 487.63968

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=CC(=N1)NC(CC2CCCCC2)C(=O)NC3CN(CC4=CC=CC=C34)C)N5C=CC=C5

Isomeric SMILES

CNC1=NC(=CC(=N1)NC(CC2CCCCC2)C(=O)NC3CN(CC4=CC=CC=C34)C)N5C=CC=C5

InChI

InChI=1S/C28H37N7O/c1-29-28-32-25(17-26(33-28)35-14-8-9-15-35)30-23(16-20-10-4-3-5-11-20)27(36)31-24-19-34(2)18-21-12-6-7-13-22(21)24/h6-9,12-15,17,20,23-24H,3-5,10-11,16,18-19H2,1-2H3,(H,31,36)(H2,29,30,32,33)