6-azanyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-amino-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1H-pyrimidin-4-one Formula: C13H12N4O5S MolecularWeight: 336.32318

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NC(=O)C=C(N3)N)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NC(=O)C=C(N3)N)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O5S/c14-10-3-11(18)16-13(15-10)23-5-8-2-9(17(19)20)1-7-4-21-6-22-12(7)8/h1-3H,4-6H2,(H3,14,15,16,18)