N-(5-chloranyl-1,3-benzodioxol-4-yl)-6-methoxy-7-(oxiran-2-ylmethoxy)quinazolin-4-amine

Systemtic Name: N-(5-chloranyl-1,3-benzodioxol-4-yl)-6-methoxy-7-(oxiran-2-ylmethoxy)quinazolin-4-amine Openeye Name: N-(5-chloro-1,3-benzodioxol-4-yl)-6-methoxy-7-(oxiran-2-ylmethoxy)quinazolin-4-amine CAS Name: N-(5-chloro-1,3-benzodioxol-4-yl)-6-methoxy-7-(2-oxiranylmethoxy)-4-quinazolinamine IUPAC Name: N-(5-chloro-1,3-benzodioxol-4-yl)-6-methoxy-7-(oxiran-2-ylmethoxy)quinazolin-4-amine Traditional Name: (5-chloro-1,3-benzodioxol-4-yl)-(7-glycidoxy-6-methoxy-quinazolin-4-yl)amine Formula: C19H16ClN3O5 MolecularWeight: 401.80044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=CC4=C3OCO4)Cl)OCC5CO5

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=CC4=C3OCO4)Cl)OCC5CO5

InChI

InChI=1S/C19H16ClN3O5/c1-24-15-4-11-13(5-16(15)26-7-10-6-25-10)21-8-22-19(11)23-17-12(20)2-3-14-18(17)28-9-27-14/h2-5,8,10H,6-7,9H2,1H3,(H,21,22,23)