3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]azepan-2-one

Systemtic Name: 3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]azepan-2-one Openeye Name: 3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]azepan-2-one CAS Name: 3-[(4,6-dimethoxy-5-pyrimidinyl)methylamino]-2-azepanone IUPAC Name: 3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]azepan-2-one Traditional Name: 3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]azepan-2-one Formula: C13H20N4O3 MolecularWeight: 280.3229

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=NC=N1)OC)CNC2CCCCNC2=O

Isomeric SMILES

COC1=C(C(=NC=N1)OC)CNC2CCCCNC2=O

InChI

InChI=1S/C13H20N4O3/c1-19-12-9(13(20-2)17-8-16-12)7-15-10-5-3-4-6-14-11(10)18/h8,10,15H,3-7H2,1-2H3,(H,14,18)