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

Systemtic Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-3-bromanyl-benzamide Openeye Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-3-bromo-benzamide CAS Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]amino]ethyl]-3-bromobenzamide IUPAC Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]ethyl]-3-bromobenzamide Traditional Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-3-bromo-benzamide Formula: C23H25BrN6O2 MolecularWeight: 497.3876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25BrN6O2/c1-16(31)25-10-11-26-20-15-21(30-22(29-20)17-6-3-2-4-7-17)27-12-13-28-23(32)18-8-5-9-19(24)14-18/h2-9,14-15H,10-13H2,1H3,(H,25,31)(H,28,32)(H2,26,27,29,30)