2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(5-nitro-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(5-nitro-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C13H10N6O4S2 MolecularWeight: 378.3863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])N=C(S2)NC(=O)CSC3=NC(=O)C=C(N3)N

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])N=C(S2)NC(=O)CSC3=NC(=O)C=C(N3)N

InChI

InChI=1S/C13H10N6O4S2/c14-9-4-10(20)17-12(16-9)24-5-11(21)18-13-15-7-3-6(19(22)23)1-2-8(7)25-13/h1-4H,5H2,(H,15,18,21)(H3,14,16,17,20)