ethyl 5-[4-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]piperazin-1-yl]sulfonylfuran-2-carboxylate

Systemtic Name: ethyl 5-[4-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]piperazin-1-yl]sulfonylfuran-2-carboxylate Openeye Name: ethyl 5-[4-[(4-oxo-1H-quinazolin-2-yl)methyl]piperazin-1-yl]sulfonylfuran-2-carboxylate CAS Name: 5-[[4-[(4-oxo-1H-quinazolin-2-yl)methyl]-1-piperazinyl]sulfonyl]-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-[(4-oxo-1H-quinazolin-2-yl)methyl]piperazin-1-yl]sulfonylfuran-2-carboxylate Traditional Name: 5-[4-[(4-keto-1H-quinazolin-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=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CCOC(=O)C1=CC=C(O1)S(=O)(=O)N2CCN(CC2)CC3=NC(=O)C4=CC=CC=C4N3

InChI

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