2-(3-ethylpentyl)-6-nitro-5-oxidanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Systemtic Name: 2-(3-ethylpentyl)-6-nitro-5-oxidanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: 2-(3-ethylpentyl)-5-hydroxy-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: 2-(3-ethylpentyl)-5-hydroxy-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: 2-(3-ethylpentyl)-5-hydroxy-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: 2-(3-ethylpentyl)-5-hydroxy-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C12H16N4O4S MolecularWeight: 312.34484

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CCC1=NN2C(=C(C(=O)N=C2S1)[N+](=O)[O-])O

Isomeric SMILES

CCC(CC)CCC1=NN2C(=C(C(=O)N=C2S1)[N+](=O)[O-])O

InChI

InChI=1S/C12H16N4O4S/c1-3-7(4-2)5-6-8-14-15-11(18)9(16(19)20)10(17)13-12(15)21-8/h7,18H,3-6H2,1-2H3