sodium 3-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloranyl-quinazolin-2-yl]oxypropyl sulfate

Systemtic Name: sodium 3-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloranyl-quinazolin-2-yl]oxypropyl sulfate Openeye Name: sodium 3-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloro-quinazolin-2-yl]oxypropyl sulfate CAS Name: sodium 3-[[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloro-2-quinazolinyl]oxy]propyl sulfate IUPAC Name: sodium 3-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloroquinazolin-2-yl]oxypropyl sulfate Traditional Name: sodium 3-[6-chloro-4-(piperonylamino)quinazolin-2-yl]oxypropyl sulfate Formula: C19H17ClN3NaO7S MolecularWeight: 489.86195

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC(=NC4=C3C=C(C=C4)Cl)OCCCOS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC(=NC4=C3C=C(C=C4)Cl)OCCCOS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C19H18ClN3O7S.Na/c20-13-3-4-15-14(9-13)18(21-10-12-2-5-16-17(8-12)29-11-28-16)23-19(22-15)27-6-1-7-30-31(24,25)26;/h2-5,8-9H,1,6-7,10-11H2,(H,21,22,23)(H,24,25,26);/q;+1/p-1