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

Systemtic Name: 5,6-dimethyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-5,6-dimethyl-thieno[2,3-d]pyrimidine CAS Name: 5,6-dimethyl-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]thieno[2,3-d]pyrimidine IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-5,6-dimethyl-thieno[2,3-d]pyrimidine Formula: C19H23N4S+ MolecularWeight: 339.47772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4S/c1-14-15(2)24-19-17(14)18(20-13-21-19)23-10-8-22(9-11-23)12-16-6-4-3-5-7-16/h3-7,13H,8-12H2,1-2H3/p+1