6-nitro-1H-[1]benzothiolo[3,2-d]pyrimidin-9-one

Systemtic Name: 6-nitro-1H-[1]benzothiolo[3,2-d]pyrimidin-9-one Openeye Name: 6-nitro-1H-benzothiopheno[3,2-d]pyrimidin-9-one CAS Name: 6-nitro-1H-[1]benzothiolo[3,2-d]pyrimidin-9-one IUPAC Name: 6-nitro-1H-[1]benzothiolo[3,2-d]pyrimidin-9-one Traditional Name: 6-nitro-1H-benzothiopheno[3,2-d]pyrimidin-9-one Formula: C10H5N3O3S MolecularWeight: 247.23

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C2=C3C(=CN=CN3)SC2=C1[N+](=O)[O-]

Isomeric SMILES

C1=CC(=O)C2=C3C(=CN=CN3)SC2=C1[N+](=O)[O-]

InChI

InChI=1S/C10H5N3O3S/c14-6-2-1-5(13(15)16)10-8(6)9-7(17-10)3-11-4-12-9/h1-4H,(H,11,12)