3-cyclohexyl-2-[[2-(ethylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-(1-phenylethyl)propanamide

Systemtic Name: 3-cyclohexyl-2-[[2-(ethylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-(1-phenylethyl)propanamide Openeye Name: 3-cyclohexyl-2-[[2-(ethylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-(1-phenylethyl)propanamide CAS Name: 3-cyclohexyl-2-[[2-(ethylamino)-6-(1-pyrrolyl)-4-pyrimidinyl]amino]-N-(1-phenylethyl)propanamide IUPAC Name: 3-cyclohexyl-2-[[2-(ethylamino)-6-pyrrol-1-ylpyrimidin-4-yl]amino]-N-(1-phenylethyl)propanamide Traditional Name: 3-cyclohexyl-2-[[2-(ethylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-(1-phenylethyl)propionamide Formula: C27H36N6O MolecularWeight: 460.61434

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=CC(=N1)NC(CC2CCCCC2)C(=O)NC(C)C3=CC=CC=C3)N4C=CC=C4

Isomeric SMILES

CCNC1=NC(=CC(=N1)NC(CC2CCCCC2)C(=O)NC(C)C3=CC=CC=C3)N4C=CC=C4

InChI

InChI=1S/C27H36N6O/c1-3-28-27-31-24(19-25(32-27)33-16-10-11-17-33)30-23(18-21-12-6-4-7-13-21)26(34)29-20(2)22-14-8-5-9-15-22/h5,8-11,14-17,19-21,23H,3-4,6-7,12-13,18H2,1-2H3,(H,29,34)(H2,28,30,31,32)