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

Systemtic Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-5-chloro-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]amino]ethyl]-5-chloro-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]ethyl]-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-5-chloro-2-(methylthio)pyrimidine-4-carboxamide Formula: C22H25ClN8O2S MolecularWeight: 501.0043

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NCCNC(=O)C2=NC(=NC=C2Cl)SC)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NCCNC(=O)C2=NC(=NC=C2Cl)SC)C3=CC=CC=C3

InChI

InChI=1S/C22H25ClN8O2S/c1-14(32)24-8-9-25-17-12-18(30-20(29-17)15-6-4-3-5-7-15)26-10-11-27-21(33)19-16(23)13-28-22(31-19)34-2/h3-7,12-13H,8-11H2,1-2H3,(H,24,32)(H,27,33)(H2,25,26,29,30)