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

Systemtic Name: 4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Openeye Name: 4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine CAS Name: 4-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]thieno[2,3-d]pyrimidine IUPAC Name: 4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Traditional Name: 4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Formula: C18H18N5S2+ MolecularWeight: 368.49902

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C4=C5C=CSC5=NC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C4=C5C=CSC5=NC=N4

InChI

InChI=1S/C18H17N5S2/c1-2-4-15-14(3-1)21-16(25-15)11-22-6-8-23(9-7-22)17-13-5-10-24-18(13)20-12-19-17/h1-5,10,12H,6-9,11H2/p+1