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

Systemtic Name: 5,6-dimethyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-(4-pyrazin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine Openeye Name: 5,6-dimethyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-(4-pyrazin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine CAS Name: 5,6-dimethyl-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-4-[4-(2-pyrazinyl)-1-piperazinyl]thieno[2,3-d]pyrimidine IUPAC Name: 5,6-dimethyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-(4-pyrazin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine Traditional Name: 5,6-dimethyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-(4-pyrazin-2-ylpiperazino)thieno[2,3-d]pyrimidine Formula: C23H32N7S+ MolecularWeight: 438.61208

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=NC(=C3C(=C(SC3=N2)C)C)N4CCN(CC4)C5=NC=CN=C5

Isomeric SMILES

CC1CC[NH+](CC1)CC2=NC(=C3C(=C(SC3=N2)C)C)N4CCN(CC4)C5=NC=CN=C5

InChI

InChI=1S/C23H31N7S/c1-16-4-8-28(9-5-16)15-19-26-22(21-17(2)18(3)31-23(21)27-19)30-12-10-29(11-13-30)20-14-24-6-7-25-20/h6-7,14,16H,4-5,8-13,15H2,1-3H3/p+1