1-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]-2-oxidanylidene-ethanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]-2-oxidanylidene-ethanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]-2-oxo-acetyl]piperidine-4-carboxamide CAS Name: 1-[2-[[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]amino]-1,2-dioxoethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]-2-oxoacetyl]piperidine-4-carboxamide Traditional Name: 1-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]-2-keto-acetyl]isonipecotamide Formula: C22H27N7O4 MolecularWeight: 453.49428

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)C(=O)N2CCC(CC2)C(=O)N)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)C(=O)N2CCC(CC2)C(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C22H27N7O4/c1-14(30)24-9-10-25-17-13-18(27-20(26-17)16-5-3-2-4-6-16)28-21(32)22(33)29-11-7-15(8-12-29)19(23)31/h2-6,13,15H,7-12H2,1H3,(H2,23,31)(H,24,30)(H2,25,26,27,28,32)