N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(azepan-2-yl)-2-oxidanylidene-ethanamide

Systemtic Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(azepan-2-yl)-2-oxidanylidene-ethanamide Openeye Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(azepan-2-yl)-2-oxo-acetamide CAS Name: N-[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]-2-(2-azepanyl)-2-oxoacetamide IUPAC Name: N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-(azepan-2-yl)-2-oxoacetamide Traditional Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(azepan-2-yl)-2-keto-acetamide Formula: C22H28N6O3 MolecularWeight: 424.49612

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)C(=O)C2CCCCCN2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)C(=O)C2CCCCCN2)C3=CC=CC=C3

InChI

InChI=1S/C22H28N6O3/c1-15(29)23-12-13-25-18-14-19(27-21(26-18)16-8-4-2-5-9-16)28-22(31)20(30)17-10-6-3-7-11-24-17/h2,4-5,8-9,14,17,24H,3,6-7,10-13H2,1H3,(H,23,29)(H2,25,26,27,28,31)