N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenyl-pyrimidin-4-yl]amino]ethyl]-2-sulfanyl-benzamide

Systemtic Name: N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenyl-pyrimidin-4-yl]amino]ethyl]-2-sulfanyl-benzamide Openeye Name: N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenyl-pyrimidin-4-yl]amino]ethyl]-2-sulfanyl-benzamide CAS Name: N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenyl-4-pyrimidinyl]amino]ethyl]-2-mercaptobenzamide IUPAC Name: N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenylpyrimidin-4-yl]amino]ethyl]-2-sulfanylbenzamide Traditional Name: N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenyl-pyrimidin-4-yl]amino]ethyl]-2-mercapto-benzamide Formula: C24H28N6O2S MolecularWeight: 464.58312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1NCCNC(=O)C)C2=CC=CC=C2)NCCNC(=O)C3=CC=CC=C3S

Isomeric SMILES

CC1=C(N=C(N=C1NCCNC(=O)C)C2=CC=CC=C2)NCCNC(=O)C3=CC=CC=C3S

InChI

InChI=1S/C24H28N6O2S/c1-16-21(26-13-12-25-17(2)31)29-23(18-8-4-3-5-9-18)30-22(16)27-14-15-28-24(32)19-10-6-7-11-20(19)33/h3-11,33H,12-15H2,1-2H3,(H,25,31)(H,28,32)(H2,26,27,29,30)