4-[6-(2-methylpropylamino)pyrimidin-4-yl]-N-(2-oxidanyl-1-phenyl-ethyl)-1H-pyrrole-2-carboxamide

Systemtic Name: 4-[6-(2-methylpropylamino)pyrimidin-4-yl]-N-(2-oxidanyl-1-phenyl-ethyl)-1H-pyrrole-2-carboxamide Openeye Name: N-(2-hydroxy-1-phenyl-ethyl)-4-[6-(isobutylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide CAS Name: N-(2-hydroxy-1-phenylethyl)-4-[6-(2-methylpropylamino)-4-pyrimidinyl]-1H-pyrrole-2-carboxamide IUPAC Name: N-(2-hydroxy-1-phenylethyl)-4-[6-(2-methylpropylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide Traditional Name: N-(2-hydroxy-1-phenyl-ethyl)-4-[6-(isobutylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC=NC(=C1)C2=CNC(=C2)C(=O)NC(CO)C3=CC=CC=C3

Isomeric SMILES

CC(C)CNC1=NC=NC(=C1)C2=CNC(=C2)C(=O)NC(CO)C3=CC=CC=C3

InChI

InChI=1S/C21H25N5O2/c1-14(2)10-23-20-9-17(24-13-25-20)16-8-18(22-11-16)21(28)26-19(12-27)15-6-4-3-5-7-15/h3-9,11,13-14,19,22,27H,10,12H2,1-2H3,(H,26,28)(H,23,24,25)