2-[4-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]sulfonylpiperazin-1-yl]-N-oxidanyl-pyrimidine-5-carboxamide

Systemtic Name: 2-[4-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]sulfonylpiperazin-1-yl]-N-oxidanyl-pyrimidine-5-carboxamide Openeye Name: 2-[4-[4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl]sulfonylpiperazin-1-yl]pyrimidine-5-carbohydroxamic acid CAS Name: 2-[4-[[4-(3-chloro-4-fluoroanilino)-7-methoxy-6-quinazolinyl]sulfonyl]-1-piperazinyl]-N-hydroxy-5-pyrimidinecarboxamide IUPAC Name: 2-[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide Traditional Name: 2-[4-[4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl]sulfonylpiperazino]pyrimidine-5-carbohydroxamic acid Formula: C24H22ClFN8O5S MolecularWeight: 588.998483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)S(=O)(=O)N4CCN(CC4)C5=NC=C(C=N5)C(=O)NO

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)S(=O)(=O)N4CCN(CC4)C5=NC=C(C=N5)C(=O)NO

InChI

InChI=1S/C24H22ClFN8O5S/c1-39-20-10-19-16(22(30-13-29-19)31-15-2-3-18(26)17(25)8-15)9-21(20)40(37,38)34-6-4-33(5-7-34)24-27-11-14(12-28-24)23(35)32-36/h2-3,8-13,36H,4-7H2,1H3,(H,32,35)(H,29,30,31)