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

Systemtic Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-1H-indole-2-carboxamide Openeye Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-1H-indole-2-carboxamide CAS Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]amino]ethyl]-1H-indole-2-carboxamide IUPAC Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]ethyl]-1H-indole-2-carboxamide Traditional Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-1H-indole-2-carboxamide Formula: C25H27N7O2 MolecularWeight: 457.52758

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NCCNC(=O)C2=CC3=CC=CC=C3N2)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NCCNC(=O)C2=CC3=CC=CC=C3N2)C4=CC=CC=C4

InChI

InChI=1S/C25H27N7O2/c1-17(33)26-11-12-27-22-16-23(32-24(31-22)18-7-3-2-4-8-18)28-13-14-29-25(34)21-15-19-9-5-6-10-20(19)30-21/h2-10,15-16,30H,11-14H2,1H3,(H,26,33)(H,29,34)(H2,27,28,31,32)