2-[4-azanyl-3-methyl-2,6-bis(oxidanylidene)-5-piperidin-1-yl-pyrimidin-1-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide

Systemtic Name: 2-[4-azanyl-3-methyl-2,6-bis(oxidanylidene)-5-piperidin-1-yl-pyrimidin-1-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide Openeye Name: 2-[4-amino-3-methyl-2,6-dioxo-5-(1-piperidyl)pyrimidin-1-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: 2-[4-amino-3-methyl-2,6-dioxo-5-(1-piperidinyl)-1-pyrimidinyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide IUPAC Name: 2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Traditional Name: 2-(4-amino-2,6-diketo-3-methyl-5-piperidino-pyrimidin-1-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C21H27N5O5 MolecularWeight: 429.46958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)CC(=O)NC2=CC3=C(C=C2)OCCCO3)N4CCCCC4)N

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)CC(=O)NC2=CC3=C(C=C2)OCCCO3)N4CCCCC4)N

InChI

InChI=1S/C21H27N5O5/c1-24-19(22)18(25-8-3-2-4-9-25)20(28)26(21(24)29)13-17(27)23-14-6-7-15-16(12-14)31-11-5-10-30-15/h6-7,12H,2-5,8-11,13,22H2,1H3,(H,23,27)