3-(furan-2-ylmethylsulfanyl)-N2-(3-imidazol-1-ylpropyl)quinoxaline-2,7-diamine

Systemtic Name: 3-(furan-2-ylmethylsulfanyl)-N2-(3-imidazol-1-ylpropyl)quinoxaline-2,7-diamine Openeye Name: 3-(2-furylmethylsulfanyl)-N2-(3-imidazol-1-ylpropyl)quinoxaline-2,7-diamine CAS Name: 3-(2-furanylmethylthio)-N2-[3-(1-imidazolyl)propyl]quinoxaline-2,7-diamine IUPAC Name: 3-(furan-2-ylmethylsulfanyl)-2-N-(3-imidazol-1-ylpropyl)quinoxaline-2,7-diamine Traditional Name: [7-amino-3-(2-furfurylthio)quinoxalin-2-yl]-(3-imidazol-1-ylpropyl)amine Formula: C19H20N6OS MolecularWeight: 380.4667

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CSC2=NC3=C(C=C(C=C3)N)N=C2NCCCN4C=CN=C4

Isomeric SMILES

C1=COC(=C1)CSC2=NC3=C(C=C(C=C3)N)N=C2NCCCN4C=CN=C4

InChI

InChI=1S/C19H20N6OS/c20-14-4-5-16-17(11-14)23-18(22-6-2-8-25-9-7-21-13-25)19(24-16)27-12-15-3-1-10-26-15/h1,3-5,7,9-11,13H,2,6,8,12,20H2,(H,22,23)