N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenyl-pyrimidin-4-yl]amino]ethyl]-5-(1,2-dithiolan-3-yl)pentanamide

Systemtic Name: N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenyl-pyrimidin-4-yl]amino]ethyl]-5-(1,2-dithiolan-3-yl)pentanamide Openeye Name: N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenyl-pyrimidin-4-yl]amino]ethyl]-5-(dithiolan-3-yl)pentanamide CAS Name: N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenyl-4-pyrimidinyl]amino]ethyl]-5-(3-dithiolanyl)pentanamide IUPAC Name: N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenylpyrimidin-4-yl]amino]ethyl]-5-(dithiolan-3-yl)pentanamide Traditional Name: N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenyl-pyrimidin-4-yl]amino]ethyl]-5-(dithiolan-3-yl)valeramide Formula: C25H36N6O2S2 MolecularWeight: 516.72234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1NCCNC(=O)CCCCC2CCSS2)C3=CC=CC=C3)NCCNC(=O)C

Isomeric SMILES

CC1=C(N=C(N=C1NCCNC(=O)CCCCC2CCSS2)C3=CC=CC=C3)NCCNC(=O)C

InChI

InChI=1S/C25H36N6O2S2/c1-18-23(28-15-13-26-19(2)32)30-25(20-8-4-3-5-9-20)31-24(18)29-16-14-27-22(33)11-7-6-10-21-12-17-34-35-21/h3-5,8-9,21H,6-7,10-17H2,1-2H3,(H,26,32)(H,27,33)(H2,28,29,30,31)