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

Systemtic Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-4-ethyl-benzamide Openeye Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-4-ethyl-benzamide CAS Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]amino]ethyl]-4-ethylbenzamide IUPAC Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]ethyl]-4-ethylbenzamide Traditional Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-4-ethyl-benzamide Formula: C25H30N6O2 MolecularWeight: 446.5447

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NCCNC2=CC(=NC(=N2)C3=CC=CC=C3)NCCNC(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NCCNC2=CC(=NC(=N2)C3=CC=CC=C3)NCCNC(=O)C

InChI

InChI=1S/C25H30N6O2/c1-3-19-9-11-21(12-10-19)25(33)29-16-15-28-23-17-22(27-14-13-26-18(2)32)30-24(31-23)20-7-5-4-6-8-20/h4-12,17H,3,13-16H2,1-2H3,(H,26,32)(H,29,33)(H2,27,28,30,31)