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

Systemtic Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-4-(phenylcarbonyl)benzamide Openeye Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-4-benzoyl-benzamide CAS Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]amino]ethyl]-4-benzoylbenzamide IUPAC Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]ethyl]-4-benzoylbenzamide Traditional Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-4-benzoyl-benzamide Formula: C30H30N6O3 MolecularWeight: 522.5976

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NCCNC(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NCCNC(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H30N6O3/c1-21(37)31-16-17-32-26-20-27(36-29(35-26)24-10-6-3-7-11-24)33-18-19-34-30(39)25-14-12-23(13-15-25)28(38)22-8-4-2-5-9-22/h2-15,20H,16-19H2,1H3,(H,31,37)(H,34,39)(H2,32,33,35,36)