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

Systemtic Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(azepan-2-yl)ethanamide Openeye Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(azepan-2-yl)acetamide CAS Name: N-[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]-2-(2-azepanyl)acetamide IUPAC Name: N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-(azepan-2-yl)acetamide Traditional Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(azepan-2-yl)acetamide Formula: C22H30N6O2 MolecularWeight: 410.5126

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)CC2CCCCCN2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)CC2CCCCCN2)C3=CC=CC=C3

InChI

InChI=1S/C22H30N6O2/c1-16(29)23-12-13-25-19-15-20(28-22(27-19)17-8-4-2-5-9-17)26-21(30)14-18-10-6-3-7-11-24-18/h2,4-5,8-9,15,18,24H,3,6-7,10-14H2,1H3,(H,23,29)(H2,25,26,27,28,30)