4-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]sulfonylbenzoic acid

Systemtic Name: 4-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]sulfonylbenzoic acid Openeye Name: 4-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]sulfonylbenzoic acid CAS Name: 4-[[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 4-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]sulfonylbenzoic acid Traditional Name: 4-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]sulfonylbenzoic acid Formula: C21H23N5O6S MolecularWeight: 473.50222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(=O)O)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(=O)O)N)OC

InChI

InChI=1S/C21H23N5O6S/c1-31-17-11-15-16(12-18(17)32-2)23-21(24-19(15)22)25-7-9-26(10-8-25)33(29,30)14-5-3-13(4-6-14)20(27)28/h3-6,11-12H,7-10H2,1-2H3,(H,27,28)(H2,22,23,24)