7-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one

Systemtic Name: 7-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 7-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 7-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 7-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 7-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C15H18N6OS+2 MolecularWeight: 330.40802

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)[N+]3=C(N2)SC=C3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)[N+]3=C(N2)SC=C3)C4=NC=CC=N4

InChI

InChI=1S/C15H16N6OS/c22-13-10-12(18-15-21(13)8-9-23-15)11-19-4-6-20(7-5-19)14-16-2-1-3-17-14/h1-3,8-10H,4-7,11H2/p+2