N-cyclohexyl-5-methyl-4-(4-propylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N-cyclohexyl-5-methyl-4-(4-propylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-cyclohexyl-5-methyl-4-(4-propylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-cyclohexyl-5-methyl-4-(4-propyl-1-piperazin-4-iumyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-cyclohexyl-5-methyl-4-(4-propylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-cyclohexyl-5-methyl-4-(4-propylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H32N5OS+ MolecularWeight: 402.57668

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C2=C3C(=C(SC3=NC=N2)C(=O)NC4CCCCC4)C

Isomeric SMILES

CCC[NH+]1CCN(CC1)C2=C3C(=C(SC3=NC=N2)C(=O)NC4CCCCC4)C

InChI

InChI=1S/C21H31N5OS/c1-3-9-25-10-12-26(13-11-25)19-17-15(2)18(28-21(17)23-14-22-19)20(27)24-16-7-5-4-6-8-16/h14,16H,3-13H2,1-2H3,(H,24,27)/p+1