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

Systemtic Name: ethyl 4-[[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloranyl-quinazolin-2-yl]amino]butanoate Openeye Name: ethyl 4-[[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloro-quinazolin-2-yl]amino]butanoate CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloro-2-quinazolinyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloroquinazolin-2-yl]amino]butanoate Traditional Name: 4-[[6-chloro-4-(piperonylamino)quinazolin-2-yl]amino]butyric acid ethyl ester Formula: C22H23ClN4O4 MolecularWeight: 442.89542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC1=NC2=C(C=C(C=C2)Cl)C(=N1)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)CCCNC1=NC2=C(C=C(C=C2)Cl)C(=N1)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H23ClN4O4/c1-2-29-20(28)4-3-9-24-22-26-17-7-6-15(23)11-16(17)21(27-22)25-12-14-5-8-18-19(10-14)31-13-30-18/h5-8,10-11H,2-4,9,12-13H2,1H3,(H2,24,25,26,27)