N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-5-chloranyl-thiophene-2-carboxamide

Systemtic Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-5-chloranyl-thiophene-2-carboxamide Openeye Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-5-chloro-thiophene-2-carboxamide CAS Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]amino]ethyl]-5-chloro-2-thiophenecarboxamide IUPAC Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]ethyl]-5-chlorothiophene-2-carboxamide Traditional Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-5-chloro-thiophene-2-carboxamide Formula: C21H23ClN6O2S MolecularWeight: 458.96432

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NCCNC(=O)C2=CC=C(S2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NCCNC(=O)C2=CC=C(S2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H23ClN6O2S/c1-14(29)23-9-10-24-18-13-19(28-20(27-18)15-5-3-2-4-6-15)25-11-12-26-21(30)16-7-8-17(22)31-16/h2-8,13H,9-12H2,1H3,(H,23,29)(H,26,30)(H2,24,25,27,28)