3-[[6-(butylcarbamoyl)-5-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[6-(butylcarbamoyl)-5-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[6-(butylcarbamoyl)-5-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[6-[butylamino(oxo)methyl]-5-methyl-4-thieno[2,3-d]pyrimidinyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[6-(butylcarbamoyl)-5-methylthieno[2,3-d]pyrimidin-4-yl]amino]propyl-dimethylazanium Traditional Name: 3-[[6-(butylcarbamoyl)-5-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]propyl-dimethyl-ammonium Formula: C17H28N5OS+ MolecularWeight: 350.50212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(C2=C(N=CN=C2S1)NCCC[NH+](C)C)C

Isomeric SMILES

CCCCNC(=O)C1=C(C2=C(N=CN=C2S1)NCCC[NH+](C)C)C

InChI

InChI=1S/C17H27N5OS/c1-5-6-8-19-16(23)14-12(2)13-15(18-9-7-10-22(3)4)20-11-21-17(13)24-14/h11H,5-10H2,1-4H3,(H,19,23)(H,18,20,21)/p+1