6-ethyl-2-methyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine

Systemtic Name: 6-ethyl-2-methyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine Openeye Name: 6-ethyl-2-methyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine CAS Name: 6-ethyl-2-methyl-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]thieno[2,3-d]pyrimidine IUPAC Name: 6-ethyl-2-methyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine Traditional Name: 6-ethyl-2-methyl-4-(4-pyridin-1-ium-2-ylpiperazino)thieno[2,3-d]pyrimidine Formula: C18H22N5S+ MolecularWeight: 340.46578

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=C(N=C2S1)C)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CCC1=CC2=C(N=C(N=C2S1)C)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C18H21N5S/c1-3-14-12-15-17(20-13(2)21-18(15)24-14)23-10-8-22(9-11-23)16-6-4-5-7-19-16/h4-7,12H,3,8-11H2,1-2H3/p+1