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

Systemtic Name: 1-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]-2-oxidanylidene-ethyl]piperidine-4-carboxamide Openeye Name: 1-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]-2-oxo-ethyl]piperidine-4-carboxamide CAS Name: 1-[2-[[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]amino]-2-oxoethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]-2-oxoethyl]piperidine-4-carboxamide Traditional Name: 1-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]-2-keto-ethyl]isonipecotamide Formula: C22H29N7O3 MolecularWeight: 439.51076

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)CN2CCC(CC2)C(=O)N)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)CN2CCC(CC2)C(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C22H29N7O3/c1-15(30)24-9-10-25-18-13-19(28-22(27-18)17-5-3-2-4-6-17)26-20(31)14-29-11-7-16(8-12-29)21(23)32/h2-6,13,16H,7-12,14H2,1H3,(H2,23,32)(H,24,30)(H2,25,26,27,28,31)