N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-4-oxidanylidene-pentanamide

Systemtic Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-4-oxidanylidene-pentanamide Openeye Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-4-oxo-pentanamide CAS Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]amino]ethyl]-4-oxopentanamide IUPAC Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]ethyl]-4-oxopentanamide Traditional Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-4-keto-valeramide Formula: C21H28N6O3 MolecularWeight: 412.48542

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)NCCNC1=NC(=NC(=C1)NCCNC(=O)C)C2=CC=CC=C2

Isomeric SMILES

CC(=O)CCC(=O)NCCNC1=NC(=NC(=C1)NCCNC(=O)C)C2=CC=CC=C2

InChI

InChI=1S/C21H28N6O3/c1-15(28)8-9-20(30)25-13-12-24-19-14-18(23-11-10-22-16(2)29)26-21(27-19)17-6-4-3-5-7-17/h3-7,14H,8-13H2,1-2H3,(H,22,29)(H,25,30)(H2,23,24,26,27)