2-diethylaminoethyl 4-[[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]sulfonylamino]benzoate

Systemtic Name: 2-diethylaminoethyl 4-[[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]sulfonylamino]benzoate Openeye Name: 2-diethylaminoethyl 4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]benzoate CAS Name: 4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]benzoate Traditional Name: 4-[(2,4-diketo-1H-pyrimidin-5-yl)sulfonylamino]benzoic acid 2-diethylaminoethyl ester Formula: C17H22N4O6S MolecularWeight: 410.44478

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CNC(=O)NC2=O

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CNC(=O)NC2=O

InChI

InChI=1S/C17H22N4O6S/c1-3-21(4-2)9-10-27-16(23)12-5-7-13(8-6-12)20-28(25,26)14-11-18-17(24)19-15(14)22/h5-8,11,20H,3-4,9-10H2,1-2H3,(H2,18,19,22,24)