N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-3-cyano-benzamide

Systemtic Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-3-cyano-benzamide Openeye Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-3-cyano-benzamide CAS Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]amino]ethyl]-3-cyanobenzamide IUPAC Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]ethyl]-3-cyanobenzamide Traditional Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-3-cyano-benzamide Formula: C24H25N7O2 MolecularWeight: 443.501

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NCCNC(=O)C2=CC=CC(=C2)C#N)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NCCNC(=O)C2=CC=CC(=C2)C#N)C3=CC=CC=C3

InChI

InChI=1S/C24H25N7O2/c1-17(32)26-10-11-27-21-15-22(31-23(30-21)19-7-3-2-4-8-19)28-12-13-29-24(33)20-9-5-6-18(14-20)16-25/h2-9,14-15H,10-13H2,1H3,(H,26,32)(H,29,33)(H2,27,28,30,31)