2-heptyl-5-oxidanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Systemtic Name: 2-heptyl-5-oxidanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: 2-heptyl-5-hydroxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: 2-heptyl-5-hydroxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: 2-heptyl-5-hydroxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: 2-heptyl-5-hydroxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C12H17N3O2S MolecularWeight: 267.34728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NN2C(=CC(=O)N=C2S1)O

Isomeric SMILES

CCCCCCCC1=NN2C(=CC(=O)N=C2S1)O

InChI

InChI=1S/C12H17N3O2S/c1-2-3-4-5-6-7-10-14-15-11(17)8-9(16)13-12(15)18-10/h8,17H,2-7H2,1H3