N5-[(3-chlorophenyl)methyl]-2-(furan-2-yl)-N5-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine

Systemtic Name: N5-[(3-chlorophenyl)methyl]-2-(furan-2-yl)-N5-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine Openeye Name: N5-[(3-chlorophenyl)methyl]-2-(2-furyl)-N5-[2-(2-thienyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine CAS Name: N5-[(3-chlorophenyl)methyl]-2-(2-furanyl)-N5-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine IUPAC Name: 5-N-[(3-chlorophenyl)methyl]-2-(furan-2-yl)-5-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine Traditional Name: [7-amino-2-(2-furyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-(3-chlorobenzyl)-[2-(2-thienyl)ethyl]amine Formula: C22H19ClN6OS MolecularWeight: 450.94386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CN(CCC2=CC=CS2)C3=NC4=NC(=NN4C(=C3)N)C5=CC=CO5

Isomeric SMILES

C1=CC(=CC(=C1)Cl)CN(CCC2=CC=CS2)C3=NC4=NC(=NN4C(=C3)N)C5=CC=CO5

InChI

InChI=1S/C22H19ClN6OS/c23-16-5-1-4-15(12-16)14-28(9-8-17-6-3-11-31-17)20-13-19(24)29-22(25-20)26-21(27-29)18-7-2-10-30-18/h1-7,10-13H,8-9,14,24H2