7-azanyl-6-nitro-2-octyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Systemtic Name: 7-azanyl-6-nitro-2-octyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Openeye Name: 7-amino-6-nitro-2-octyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one CAS Name: 7-amino-6-nitro-2-octyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one IUPAC Name: 7-amino-6-nitro-2-octyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Traditional Name: 7-amino-6-nitro-2-octyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Formula: C13H19N5O3S MolecularWeight: 325.38666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NN2C(=O)C(=C(N=C2S1)N)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCC1=NN2C(=O)C(=C(N=C2S1)N)[N+](=O)[O-]

InChI

InChI=1S/C13H19N5O3S/c1-2-3-4-5-6-7-8-9-16-17-12(19)10(18(20)21)11(14)15-13(17)22-9/h2-8,14H2,1H3