4-(4-ethylpiperazin-4-ium-1-yl)-5,6-dimethyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]thieno[2,3-d]pyrimidine

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)-5,6-dimethyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]thieno[2,3-d]pyrimidine Openeye Name: 4-(4-ethylpiperazin-4-ium-1-yl)-5,6-dimethyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]thieno[2,3-d]pyrimidine CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-5,6-dimethyl-2-[(4-methyl-1-piperidin-1-iumyl)methyl]thieno[2,3-d]pyrimidine IUPAC Name: 4-(4-ethylpiperazin-4-ium-1-yl)-5,6-dimethyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]thieno[2,3-d]pyrimidine Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-5,6-dimethyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]thieno[2,3-d]pyrimidine Formula: C21H35N5S+2 MolecularWeight: 389.6011

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C3C(=C(SC3=NC(=N2)C[NH+]4CCC(CC4)C)C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C3C(=C(SC3=NC(=N2)C[NH+]4CCC(CC4)C)C)C

InChI

InChI=1S/C21H33N5S/c1-5-24-10-12-26(13-11-24)20-19-16(3)17(4)27-21(19)23-18(22-20)14-25-8-6-15(2)7-9-25/h15H,5-14H2,1-4H3/p+2