4-[[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloranyl-quinazolin-2-yl]amino]butanoic acid

Systemtic Name: 4-[[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloranyl-quinazolin-2-yl]amino]butanoic acid Openeye Name: 4-[[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloro-quinazolin-2-yl]amino]butanoic acid CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloro-2-quinazolinyl]amino]butanoic acid IUPAC Name: 4-[[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloroquinazolin-2-yl]amino]butanoic acid Traditional Name: 4-[[6-chloro-4-(piperonylamino)quinazolin-2-yl]amino]butyric acid Formula: C20H19ClN4O4 MolecularWeight: 414.84226

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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)NCCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN4O4/c21-13-4-5-15-14(9-13)19(25-20(24-15)22-7-1-2-18(26)27)23-10-12-3-6-16-17(8-12)29-11-28-16/h3-6,8-9H,1-2,7,10-11H2,(H,26,27)(H2,22,23,24,25)