3-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloranyl-quinazolin-2-yl]oxypropane-1,2-diol

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloranyl-quinazolin-2-yl]oxypropane-1,2-diol Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloro-quinazolin-2-yl]oxypropane-1,2-diol CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloro-2-quinazolinyl]oxy]propane-1,2-diol IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloroquinazolin-2-yl]oxypropane-1,2-diol Traditional Name: 3-[6-chloro-4-(piperonylamino)quinazolin-2-yl]oxypropane-1,2-diol Formula: C19H18ClN3O5 MolecularWeight: 403.81632

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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)OCC(CO)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC(=NC4=C3C=C(C=C4)Cl)OCC(CO)O

InChI

InChI=1S/C19H18ClN3O5/c20-12-2-3-15-14(6-12)18(23-19(22-15)26-9-13(25)8-24)21-7-11-1-4-16-17(5-11)28-10-27-16/h1-6,13,24-25H,7-10H2,(H,21,22,23)