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2-(azepan-1-ium-1-ylmethyl)-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

2-(azepan-1-ium-1-ylmethyl)-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Systemtic Name:2-(azepan-1-ium-1-ylmethyl)-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Openeye Name:2-(azepan-1-ium-1-ylmethyl)-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CAS Name:2-(1-azepan-1-iumylmethyl)-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
IUPAC Name:2-(azepan-1-ium-1-ylmethyl)-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Traditional Name:2-(azepan-1-ium-1-ylmethyl)-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Formula: C13H19N4OS+
MolecularWeight: 279.38116
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N2C(=N1)SC(=N2)C[NH+]3CCCCCC3


Isomeric SMILES

CC1=CC(=O)N2C(=N1)SC(=N2)C[NH+]3CCCCCC3


InChI

InChI=1S/C13H18N4OS/c1-10-8-12(18)17-13(14-10)19-11(15-17)9-16-6-4-2-3-5-7-16/h8H,2-7,9H2,1H3/p+1


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