ethyl 5-azanyl-1-[2-(6-iodanyl-4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylethanoyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[2-(6-iodanyl-4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylethanoyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[2-(6-iodo-4-oxo-3-phenyl-quinazolin-2-yl)sulfanylacetyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[2-[(6-iodo-4-oxo-3-phenyl-2-quinazolinyl)thio]-1-oxoethyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[2-(6-iodo-4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[2-[(6-iodo-4-keto-3-phenyl-quinazolin-2-yl)thio]acetyl]pyrazole-4-carboxylic acid ethyl ester Formula: C22H18IN5O4S MolecularWeight: 575.37889

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C(=O)CSC2=NC3=C(C=C(C=C3)I)C(=O)N2C4=CC=CC=C4)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C(=O)CSC2=NC3=C(C=C(C=C3)I)C(=O)N2C4=CC=CC=C4)N

InChI

InChI=1S/C22H18IN5O4S/c1-2-32-21(31)16-11-25-28(19(16)24)18(29)12-33-22-26-17-9-8-13(23)10-15(17)20(30)27(22)14-6-4-3-5-7-14/h3-11H,2,12,24H2,1H3