5,6-dimethyl-4-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine

Systemtic Name: 5,6-dimethyl-4-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Openeye Name: 5,6-dimethyl-4-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine CAS Name: 5,6-dimethyl-4-[4-(3-pyridinylmethyl)-1-piperazin-4-iumyl]thieno[2,3-d]pyrimidine IUPAC Name: 5,6-dimethyl-4-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Traditional Name: 5,6-dimethyl-4-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Formula: C18H22N5S+ MolecularWeight: 340.46578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CC[NH+](CC3)CC4=CN=CC=C4)C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CC[NH+](CC3)CC4=CN=CC=C4)C

InChI

InChI=1S/C18H21N5S/c1-13-14(2)24-18-16(13)17(20-12-21-18)23-8-6-22(7-9-23)11-15-4-3-5-19-10-15/h3-5,10,12H,6-9,11H2,1-2H3/p+1