N-(2,1,3-benzoxadiazol-5-yl)-3-cyclohexyl-2-[[2-(ethylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]propanamide

Systemtic Name: N-(2,1,3-benzoxadiazol-5-yl)-3-cyclohexyl-2-[[2-(ethylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]propanamide Openeye Name: N-(2,1,3-benzoxadiazol-5-yl)-3-cyclohexyl-2-[[2-(ethylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]propanamide CAS Name: N-(2,1,3-benzoxadiazol-5-yl)-3-cyclohexyl-2-[[2-(ethylamino)-6-(1-pyrrolyl)-4-pyrimidinyl]amino]propanamide IUPAC Name: N-(2,1,3-benzoxadiazol-5-yl)-3-cyclohexyl-2-[[2-(ethylamino)-6-pyrrol-1-ylpyrimidin-4-yl]amino]propanamide Traditional Name: N-benzofurazan-5-yl-3-cyclohexyl-2-[[2-(ethylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]propionamide Formula: C25H30N8O2 MolecularWeight: 474.5581

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=CC(=N1)NC(CC2CCCCC2)C(=O)NC3=CC4=NON=C4C=C3)N5C=CC=C5

Isomeric SMILES

CCNC1=NC(=CC(=N1)NC(CC2CCCCC2)C(=O)NC3=CC4=NON=C4C=C3)N5C=CC=C5

InChI

InChI=1S/C25H30N8O2/c1-2-26-25-29-22(16-23(30-25)33-12-6-7-13-33)28-21(14-17-8-4-3-5-9-17)24(34)27-18-10-11-19-20(15-18)32-35-31-19/h6-7,10-13,15-17,21H,2-5,8-9,14H2,1H3,(H,27,34)(H2,26,28,29,30)