3-[[2,5-dimethyl-6-(2-methylpropoxycarbonyl)thieno[2,3-d]pyrimidin-4-yl]amino]propylazanium

Systemtic Name: 3-[[2,5-dimethyl-6-(2-methylpropoxycarbonyl)thieno[2,3-d]pyrimidin-4-yl]amino]propylazanium Openeye Name: 3-[(6-isobutoxycarbonyl-2,5-dimethyl-thieno[2,3-d]pyrimidin-4-yl)amino]propylammonium CAS Name: 3-[[2,5-dimethyl-6-[2-methylpropoxy(oxo)methyl]-4-thieno[2,3-d]pyrimidinyl]amino]propylammonium IUPAC Name: 3-[[2,5-dimethyl-6-(2-methylpropoxycarbonyl)thieno[2,3-d]pyrimidin-4-yl]amino]propylazanium Traditional Name: 3-[(6-isobutoxycarbonyl-2,5-dimethyl-thieno[2,3-d]pyrimidin-4-yl)amino]propylammonium Formula: C16H25N4O2S+ MolecularWeight: 337.4603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NCCC[NH3+])C)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NCCC[NH3+])C)C(=O)OCC(C)C

InChI

InChI=1S/C16H24N4O2S/c1-9(2)8-22-16(21)13-10(3)12-14(18-7-5-6-17)19-11(4)20-15(12)23-13/h9H,5-8,17H2,1-4H3,(H,18,19,20)/p+1