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

Systemtic Name: 7-azanyl-2-(2-cyclooctylethyl)-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Openeye Name: 7-amino-2-(2-cyclooctylethyl)-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one CAS Name: 7-amino-2-(2-cyclooctylethyl)-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one IUPAC Name: 7-amino-2-(2-cyclooctylethyl)-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Traditional Name: 7-amino-2-(2-cyclooctylethyl)-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Formula: C15H21N5O3S MolecularWeight: 351.42394

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)CCC2=NN3C(=O)C(=C(N=C3S2)N)[N+](=O)[O-]

Isomeric SMILES

C1CCCC(CCC1)CCC2=NN3C(=O)C(=C(N=C3S2)N)[N+](=O)[O-]

InChI

InChI=1S/C15H21N5O3S/c16-13-12(20(22)23)14(21)19-15(17-13)24-11(18-19)9-8-10-6-4-2-1-3-5-7-10/h10H,1-9,16H2