5-propyl-2-(thiophen-2-ylmethylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 5-propyl-2-(thiophen-2-ylmethylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Openeye Name: 5-propyl-2-(2-thienylmethylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one CAS Name: 5-propyl-2-(thiophen-2-ylmethylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one IUPAC Name: 5-propyl-2-(thiophen-2-ylmethylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Traditional Name: 5-propyl-2-(2-thenylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Formula: C13H15N5OS MolecularWeight: 289.3561

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N2C(=N1)N=C(N2)NCC3=CC=CS3

Isomeric SMILES

CCCC1=CC(=O)N2C(=N1)N=C(N2)NCC3=CC=CS3

InChI

InChI=1S/C13H15N5OS/c1-2-4-9-7-11(19)18-13(15-9)16-12(17-18)14-8-10-5-3-6-20-10/h3,5-7H,2,4,8H2,1H3,(H2,14,15,16,17)