5-[(6-azanyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)-(3-nitrophenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione

Systemtic Name: 5-[(6-azanyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)-(3-nitrophenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione Openeye Name: 5-[(6-amino-4-oxo-2-thioxo-1H-pyrimidin-5-yl)-(3-nitrophenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione CAS Name: 5-[(6-amino-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-(3-nitrophenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione IUPAC Name: 5-[(6-amino-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-(3-nitrophenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione Traditional Name: 5-[(6-amino-4-keto-2-thioxo-1H-pyrimidin-5-yl)-(3-nitrophenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-quinone Formula: C17H16N4O7S MolecularWeight: 420.39654

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(C(=O)O1)C(C2=CC(=CC=C2)[N+](=O)[O-])C3=C(NC(=S)NC3=O)N)C

Isomeric SMILES

CC1(OC(=O)C(C(=O)O1)C(C2=CC(=CC=C2)[N+](=O)[O-])C3=C(NC(=S)NC3=O)N)C

InChI

InChI=1S/C17H16N4O7S/c1-17(2)27-14(23)11(15(24)28-17)9(7-4-3-5-8(6-7)21(25)26)10-12(18)19-16(29)20-13(10)22/h3-6,9,11H,1-2H3,(H4,18,19,20,22,29)