N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-N'-(2-cyanoethyl)-N'-methyl-ethanediamide

Systemtic Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-N'-(2-cyanoethyl)-N'-methyl-ethanediamide Openeye Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-N'-(2-cyanoethyl)-N'-methyl-oxamide CAS Name: N-[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]-N'-(2-cyanoethyl)-N'-methyloxamide IUPAC Name: N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-N'-(2-cyanoethyl)-N'-methyloxamide Traditional Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-N'-(2-cyanoethyl)-N'-methyl-oxamide Formula: C20H23N7O3 MolecularWeight: 409.44172

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)C(=O)N(C)CCC#N)C2=CC=CC=C2

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)C(=O)N(C)CCC#N)C2=CC=CC=C2

InChI

InChI=1S/C20H23N7O3/c1-14(28)22-10-11-23-16-13-17(25-18(24-16)15-7-4-3-5-8-15)26-19(29)20(30)27(2)12-6-9-21/h3-5,7-8,13H,6,10-12H2,1-2H3,(H,22,28)(H2,23,24,25,26,29)