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

Systemtic Name: 2-[4-[4-[(3-ethynylphenyl)amino]quinazolin-6-yl]sulfonylpiperazin-1-yl]-N-oxidanyl-pyrimidine-5-carboxamide Openeye Name: 2-[4-[4-(3-ethynylanilino)quinazolin-6-yl]sulfonylpiperazin-1-yl]pyrimidine-5-carbohydroxamic acid CAS Name: 2-[4-[[4-(3-ethynylanilino)-6-quinazolinyl]sulfonyl]-1-piperazinyl]-N-hydroxy-5-pyrimidinecarboxamide IUPAC Name: 2-[4-[4-(3-ethynylanilino)quinazolin-6-yl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide Traditional Name: 2-[4-[4-(3-ethynylanilino)quinazolin-6-yl]sulfonylpiperazino]pyrimidine-5-carbohydroxamic acid Formula: C25H22N8O4S MolecularWeight: 530.55838

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC2=NC=NC3=C2C=C(C=C3)S(=O)(=O)N4CCN(CC4)C5=NC=C(C=N5)C(=O)NO

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2=NC=NC3=C2C=C(C=C3)S(=O)(=O)N4CCN(CC4)C5=NC=C(C=N5)C(=O)NO

InChI

InChI=1S/C25H22N8O4S/c1-2-17-4-3-5-19(12-17)30-23-21-13-20(6-7-22(21)28-16-29-23)38(36,37)33-10-8-32(9-11-33)25-26-14-18(15-27-25)24(34)31-35/h1,3-7,12-16,35H,8-11H2,(H,31,34)(H,28,29,30)