2-(6-azanyl-4-oxidanylidene-1-prop-2-enyl-pyrimidin-2-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-(6-azanyl-4-oxidanylidene-1-prop-2-enyl-pyrimidin-2-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(1-allyl-6-amino-4-oxo-pyrimidin-2-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[(6-amino-4-oxo-1-prop-2-enyl-2-pyrimidinyl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[(1-allyl-6-amino-4-keto-pyrimidin-2-yl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C16H14N6O4S2 MolecularWeight: 418.45016

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=CC(=O)N=C1SCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])N

Isomeric SMILES

C=CCN1C(=CC(=O)N=C1SCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])N

InChI

InChI=1S/C16H14N6O4S2/c1-2-5-21-12(17)7-13(23)20-16(21)27-8-14(24)19-15-18-10-4-3-9(22(25)26)6-11(10)28-15/h2-4,6-7H,1,5,8,17H2,(H,18,19,24)