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

Systemtic Name: 3-[[6-(cyclopropylmethylcarbamoyl)-5-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[6-(cyclopropylmethylcarbamoyl)-5-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[6-[(cyclopropylmethylamino)-oxomethyl]-5-methyl-4-thieno[2,3-d]pyrimidinyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[6-(cyclopropylmethylcarbamoyl)-5-methylthieno[2,3-d]pyrimidin-4-yl]amino]propyl-dimethylazanium Traditional Name: 3-[[6-(cyclopropylmethylcarbamoyl)-5-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]propyl-dimethyl-ammonium Formula: C17H26N5OS+ MolecularWeight: 348.48624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NCCC[NH+](C)C)C(=O)NCC3CC3

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NCCC[NH+](C)C)C(=O)NCC3CC3

InChI

InChI=1S/C17H25N5OS/c1-11-13-15(18-7-4-8-22(2)3)20-10-21-17(13)24-14(11)16(23)19-9-12-5-6-12/h10,12H,4-9H2,1-3H3,(H,19,23)(H,18,20,21)/p+1