N2-(1,3-benzodioxol-5-yl)-N4-(4-fluorophenyl)-8-methoxy-quinazoline-2,4-diamine

Systemtic Name: N2-(1,3-benzodioxol-5-yl)-N4-(4-fluorophenyl)-8-methoxy-quinazoline-2,4-diamine Openeye Name: N2-(1,3-benzodioxol-5-yl)-N4-(4-fluorophenyl)-8-methoxy-quinazoline-2,4-diamine CAS Name: N2-(1,3-benzodioxol-5-yl)-N4-(4-fluorophenyl)-8-methoxyquinazoline-2,4-diamine IUPAC Name: 2-N-(1,3-benzodioxol-5-yl)-4-N-(4-fluorophenyl)-8-methoxyquinazoline-2,4-diamine Traditional Name: 1,3-benzodioxol-5-yl-[4-(4-fluoroanilino)-8-methoxy-quinazolin-2-yl]amine Formula: C22H17FN4O3 MolecularWeight: 404.393783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1N=C(N=C2NC3=CC=C(C=C3)F)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=CC2=C1N=C(N=C2NC3=CC=C(C=C3)F)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H17FN4O3/c1-28-18-4-2-3-16-20(18)26-22(25-15-9-10-17-19(11-15)30-12-29-17)27-21(16)24-14-7-5-13(23)6-8-14/h2-11H,12H2,1H3,(H2,24,25,26,27)