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

Systemtic Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-4-(dimethylamino)benzamide Openeye Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-4-(dimethylamino)benzamide CAS Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]amino]ethyl]-4-(dimethylamino)benzamide IUPAC Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]ethyl]-4-(dimethylamino)benzamide Traditional Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-4-(dimethylamino)benzamide Formula: C25H31N7O2 MolecularWeight: 461.55934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N7O2/c1-18(33)26-13-14-27-22-17-23(31-24(30-22)19-7-5-4-6-8-19)28-15-16-29-25(34)20-9-11-21(12-10-20)32(2)3/h4-12,17H,13-16H2,1-3H3,(H,26,33)(H,29,34)(H2,27,28,30,31)