2-(2-oxidanylpropylamino)-5-pentylsulfanyl-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

Systemtic Name: 2-(2-oxidanylpropylamino)-5-pentylsulfanyl-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one Openeye Name: 2-(2-hydroxypropylamino)-5-pentylsulfanyl-4H-thiazolo[4,5-d]pyrimidin-7-one CAS Name: 2-(2-hydroxypropylamino)-5-(pentylthio)-4H-thiazolo[4,5-d]pyrimidin-7-one IUPAC Name: 2-(2-hydroxypropylamino)-5-pentylsulfanyl-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one Traditional Name: 5-(amylthio)-2-(2-hydroxypropylamino)-4H-thiazolo[4,5-d]pyrimidin-7-one Formula: C13H20N4O2S2 MolecularWeight: 328.4535

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC(=O)C2=C(N1)N=C(S2)NCC(C)O

Isomeric SMILES

CCCCCSC1=NC(=O)C2=C(N1)N=C(S2)NCC(C)O

InChI

InChI=1S/C13H20N4O2S2/c1-3-4-5-6-20-13-16-10-9(11(19)17-13)21-12(15-10)14-7-8(2)18/h8,18H,3-7H2,1-2H3,(H2,14,15,16,17,19)