ethyl 5-[4-[(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]sulfonylfuran-2-carboxylate

Systemtic Name: ethyl 5-[4-[(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]sulfonylfuran-2-carboxylate Openeye Name: ethyl 5-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]sulfonylfuran-2-carboxylate CAS Name: 5-[[4-[(4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl]-1-piperazinyl]sulfonyl]-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]sulfonylfuran-2-carboxylate Traditional Name: 5-[4-[(4-ketopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazino]sulfonylfuran-2-carboxylic acid ethyl ester Formula: C20H22N4O6S MolecularWeight: 446.47688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(O1)S(=O)(=O)N2CCN(CC2)CC3=CC(=O)N4C=CC=CC4=N3

Isomeric SMILES

CCOC(=O)C1=CC=C(O1)S(=O)(=O)N2CCN(CC2)CC3=CC(=O)N4C=CC=CC4=N3

InChI

InChI=1S/C20H22N4O6S/c1-2-29-20(26)16-6-7-19(30-16)31(27,28)23-11-9-22(10-12-23)14-15-13-18(25)24-8-4-3-5-17(24)21-15/h3-8,13H,2,9-12,14H2,1H3