5,6-dimethyl-2-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidin-1-ium-4-amine

Systemtic Name: 5,6-dimethyl-2-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidin-1-ium-4-amine Openeye Name: 2-isopentylsulfanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-1-ium-4-amine CAS Name: 5,6-dimethyl-2-(3-methylbutylthio)-4-thieno[2,3-d]pyrimidin-1-iumamine IUPAC Name: 5,6-dimethyl-2-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidin-1-ium-4-amine Traditional Name: [2-(isoamylthio)-5,6-dimethyl-thieno[2,3-d]pyrimidin-1-ium-4-yl]amine Formula: C13H20N3S2+ MolecularWeight: 282.448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=[NH+]C(=NC(=C12)N)SCCC(C)C)C

Isomeric SMILES

CC1=C(SC2=[NH+]C(=NC(=C12)N)SCCC(C)C)C

InChI

InChI=1S/C13H19N3S2/c1-7(2)5-6-17-13-15-11(14)10-8(3)9(4)18-12(10)16-13/h7H,5-6H2,1-4H3,(H2,14,15,16)/p+1