[2-[(2-methoxy-4-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2,4-bis(oxidanylidene)-1H-pyrimidine-5-carboxylate

Systemtic Name: [2-[(2-methoxy-4-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2,4-bis(oxidanylidene)-1H-pyrimidine-5-carboxylate Openeye Name: [2-(2-methoxy-4-morpholinosulfonyl-anilino)-2-oxo-ethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate CAS Name: 2,4-dioxo-1H-pyrimidine-5-carboxylic acid [2-[2-methoxy-4-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate Traditional Name: 2,4-diketo-1H-pyrimidine-5-carboxylic acid [2-keto-2-(2-methoxy-4-morpholinosulfonyl-anilino)ethyl] ester Formula: C18H20N4O9S MolecularWeight: 468.4378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)C3=CNC(=O)NC3=O

Isomeric SMILES

COC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)C3=CNC(=O)NC3=O

InChI

InChI=1S/C18H20N4O9S/c1-29-14-8-11(32(27,28)22-4-6-30-7-5-22)2-3-13(14)20-15(23)10-31-17(25)12-9-19-18(26)21-16(12)24/h2-3,8-9H,4-7,10H2,1H3,(H,20,23)(H2,19,21,24,26)