6-iodanyl-N1,7-bis(2-phenylmethoxyethyl)pyrrolo[3,2-f]quinazoline-1,3-diamine; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 6-iodanyl-N1,7-bis(2-phenylmethoxyethyl)pyrrolo[3,2-f]quinazoline-1,3-diamine; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: N1,7-bis(2-benzyloxyethyl)-6-iodo-pyrrolo[3,2-f]quinazoline-1,3-diamine; 2,2,2-trifluoroacetic acid CAS Name: 6-iodo-N1,7-bis(2-phenylmethoxyethyl)pyrrolo[3,2-f]quinazoline-1,3-diamine; 2,2,2-trifluoroacetic acid IUPAC Name: 6-iodo-1-N,7-bis(2-phenylmethoxyethyl)pyrrolo[3,2-f]quinazoline-1,3-diamine; 2,2,2-trifluoroacetic acid Traditional Name: [3-amino-7-(2-benzoxyethyl)-6-iodo-pyrrolo[3,2-f]quinazolin-1-yl]-(2-benzoxyethyl)amine; 2,2,2-trifluoroacetic acid Formula: C30H29F3IN5O4 MolecularWeight: 707.48204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCNC2=NC(=NC3=CC(=C4C(=C32)C=CN4CCOCC5=CC=CC=C5)I)N.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1=CC=C(C=C1)COCCNC2=NC(=NC3=CC(=C4C(=C32)C=CN4CCOCC5=CC=CC=C5)I)N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C28H28IN5O2.C2HF3O2/c29-23-17-24-25(22-11-13-34(26(22)23)14-16-36-19-21-9-5-2-6-10-21)27(33-28(30)32-24)31-12-15-35-18-20-7-3-1-4-8-20;3-2(4,5)1(6)7/h1-11,13,17H,12,14-16,18-19H2,(H3,30,31,32,33);(H,6,7)