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

Systemtic Name: 4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-5,6-dimethyl-thieno[2,3-d]pyrimidine Openeye Name: 4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-5,6-dimethyl-thieno[2,3-d]pyrimidine CAS Name: 4-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-5,6-dimethylthieno[2,3-d]pyrimidine IUPAC Name: 4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine Traditional Name: 4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-5,6-dimethyl-thieno[2,3-d]pyrimidine Formula: C20H22N5S2+ MolecularWeight: 396.55218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4)C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4)C

InChI

InChI=1S/C20H21N5S2/c1-13-14(2)26-20-18(13)19(21-12-22-20)25-9-7-24(8-10-25)11-17-23-15-5-3-4-6-16(15)27-17/h3-6,12H,7-11H2,1-2H3/p+1