N1,7-diethyl-6-thiophen-2-yl-pyrrolo[3,2-f]quinazoline-1,3-diamine; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: N1,7-diethyl-6-thiophen-2-yl-pyrrolo[3,2-f]quinazoline-1,3-diamine; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: N1,7-diethyl-6-(2-thienyl)pyrrolo[3,2-f]quinazoline-1,3-diamine; 2,2,2-trifluoroacetic acid CAS Name: N1,7-diethyl-6-thiophen-2-ylpyrrolo[3,2-f]quinazoline-1,3-diamine; 2,2,2-trifluoroacetic acid IUPAC Name: 1-N,7-diethyl-6-thiophen-2-ylpyrrolo[3,2-f]quinazoline-1,3-diamine; 2,2,2-trifluoroacetic acid Traditional Name: [3-amino-7-ethyl-6-(2-thienyl)pyrrolo[3,2-f]quinazolin-1-yl]-ethyl-amine; 2,2,2-trifluoroacetic acid Formula: C20H20F3N5O2S MolecularWeight: 451.46531

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=C1C3=C(C(=C2)C4=CC=CS4)N(C=C3)CC)N.C(=O)(C(F)(F)F)O

Isomeric SMILES

CCNC1=NC(=NC2=C1C3=C(C(=C2)C4=CC=CS4)N(C=C3)CC)N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C18H19N5S.C2HF3O2/c1-3-20-17-15-11-7-8-23(4-2)16(11)12(14-6-5-9-24-14)10-13(15)21-18(19)22-17;3-2(4,5)1(6)7/h5-10H,3-4H2,1-2H3,(H3,19,20,21,22);(H,6,7)