2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-iodanyl-N-(3-pyridin-4-ylpropyl)quinazolin-4-amine

Systemtic Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-iodanyl-N-(3-pyridin-4-ylpropyl)quinazolin-4-amine Openeye Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-6-iodo-N-[3-(4-pyridyl)propyl]quinazolin-4-amine CAS Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-iodo-N-(3-pyridin-4-ylpropyl)-4-quinazolinamine IUPAC Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-iodo-N-(3-pyridin-4-ylpropyl)quinazolin-4-amine Traditional Name: [2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-6-iodo-quinazolin-4-yl]-[3-(4-pyridyl)propyl]amine Formula: C25H21IN4O2 MolecularWeight: 536.36431

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC3=NC4=C(C=C(C=C4)I)C(=N3)NCCCC5=CC=NC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C3=NC4=C(C=C(C=C4)I)C(=N3)NCCCC5=CC=NC=C5

InChI

InChI=1S/C25H21IN4O2/c26-19-5-6-21-20(15-19)25(28-11-1-2-17-9-12-27-13-10-17)30-24(29-21)8-4-18-3-7-22-23(14-18)32-16-31-22/h3-10,12-15H,1-2,11,16H2,(H,28,29,30)/b8-4+