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

Systemtic Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-1H-pyrrole-2-carboxamide Openeye Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-1H-pyrrole-2-carboxamide CAS Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]amino]ethyl]-1H-pyrrole-2-carboxamide IUPAC Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]ethyl]-1H-pyrrole-2-carboxamide Traditional Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-1H-pyrrole-2-carboxamide Formula: C21H25N7O2 MolecularWeight: 407.4689

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NCCNC(=O)C2=CC=CN2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NCCNC(=O)C2=CC=CN2)C3=CC=CC=C3

InChI

InChI=1S/C21H25N7O2/c1-15(29)22-10-11-24-18-14-19(28-20(27-18)16-6-3-2-4-7-16)25-12-13-26-21(30)17-8-5-9-23-17/h2-9,14,23H,10-13H2,1H3,(H,22,29)(H,26,30)(H2,24,25,27,28)