ethyl 5-[[7-chloranyl-2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]sulfonyl]-1-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[[7-chloranyl-2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]sulfonyl]-1-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)sulfonyl]-1-methyl-pyrazole-4-carboxylate CAS Name: 5-[(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)sulfonyl]-1-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)sulfonyl]-1-methylpyrazole-4-carboxylate Traditional Name: 5-[(7-chloro-2,4-diketo-1H-quinazolin-3-yl)sulfonyl]-1-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C15H13ClN4O6S MolecularWeight: 412.80492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C)S(=O)(=O)N2C(=O)C3=C(C=C(C=C3)Cl)NC2=O

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C)S(=O)(=O)N2C(=O)C3=C(C=C(C=C3)Cl)NC2=O

InChI

InChI=1S/C15H13ClN4O6S/c1-3-26-14(22)10-7-17-19(2)13(10)27(24,25)20-12(21)9-5-4-8(16)6-11(9)18-15(20)23/h4-7H,3H2,1-2H3,(H,18,23)