7-(octylamino)-3H-[1,2,5]thiadiazolo[3,4-d]pyrimidin-5-one

Systemtic Name: 7-(octylamino)-3H-[1,2,5]thiadiazolo[3,4-d]pyrimidin-5-one Openeye Name: 7-(octylamino)-3H-[1,2,5]thiadiazolo[3,4-d]pyrimidin-5-one CAS Name: 7-(octylamino)-3H-[1,2,5]thiadiazolo[3,4-d]pyrimidin-5-one IUPAC Name: 7-(octylamino)-3H-[1,2,5]thiadiazolo[3,4-d]pyrimidin-5-one Traditional Name: 7-(octylamino)-3H-[1,2,5]thiadiazolo[3,4-d]pyrimidin-5-one Formula: C12H19N5OS MolecularWeight: 281.37716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC1=NC(=O)N=C2C1=NSN2

Isomeric SMILES

CCCCCCCCNC1=NC(=O)N=C2C1=NSN2

InChI

InChI=1S/C12H19N5OS/c1-2-3-4-5-6-7-8-13-10-9-11(17-19-16-9)15-12(18)14-10/h2-8H2,1H3,(H2,13,14,15,17,18)