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

Systemtic Name: 2-[4-[4-[(3-ethynylphenyl)amino]-7-methoxy-quinazolin-6-yl]sulfonylpiperazin-1-yl]-N-oxidanyl-pyrimidine-5-carboxamide Openeye Name: 2-[4-[4-(3-ethynylanilino)-7-methoxy-quinazolin-6-yl]sulfonylpiperazin-1-yl]pyrimidine-5-carbohydroxamic acid CAS Name: 2-[4-[[4-(3-ethynylanilino)-7-methoxy-6-quinazolinyl]sulfonyl]-1-piperazinyl]-N-hydroxy-5-pyrimidinecarboxamide IUPAC Name: 2-[4-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide Traditional Name: 2-[4-[4-(3-ethynylanilino)-7-methoxy-quinazolin-6-yl]sulfonylpiperazino]pyrimidine-5-carbohydroxamic acid Formula: C26H24N8O5S MolecularWeight: 560.58436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24N8O5S/c1-3-17-5-4-6-19(11-17)31-24-20-12-23(22(39-2)13-21(20)29-16-30-24)40(37,38)34-9-7-33(8-10-34)26-27-14-18(15-28-26)25(35)32-36/h1,4-6,11-16,36H,7-10H2,2H3,(H,32,35)(H,29,30,31)