ethyl 4-(1,3-benzodioxol-5-ylmethylamino)-6-chloranyl-quinazoline-2-carboxylate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylmethylamino)-6-chloranyl-quinazoline-2-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylmethylamino)-6-chloro-quinazoline-2-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-6-chloro-2-quinazolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylmethylamino)-6-chloroquinazoline-2-carboxylate Traditional Name: 6-chloro-4-(piperonylamino)quinazoline-2-carboxylic acid ethyl ester Formula: C19H16ClN3O4 MolecularWeight: 385.80104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=C(C=C(C=C2)Cl)C(=N1)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=NC2=C(C=C(C=C2)Cl)C(=N1)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H16ClN3O4/c1-2-25-19(24)18-22-14-5-4-12(20)8-13(14)17(23-18)21-9-11-3-6-15-16(7-11)27-10-26-15/h3-8H,2,9-10H2,1H3,(H,21,22,23)