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6-[bis(oxidanyl)methylidene]-2-(3-nitrothiophen-2-yl)-3-(phenylmethyl)pyrimidine-4,5-dione

6-[bis(oxidanyl)methylidene]-2-(3-nitrothiophen-2-yl)-3-(phenylmethyl)pyrimidine-4,5-dione

Systemtic Name:6-[bis(oxidanyl)methylidene]-2-(3-nitrothiophen-2-yl)-3-(phenylmethyl)pyrimidine-4,5-dione
Openeye Name:3-benzyl-6-(dihydroxymethylene)-2-(3-nitro-2-thienyl)pyrimidine-4,5-dione
CAS Name:6-(dihydroxymethylidene)-2-(3-nitro-2-thiophenyl)-3-(phenylmethyl)pyrimidine-4,5-dione
IUPAC Name:3-benzyl-6-(dihydroxymethylidene)-2-(3-nitrothiophen-2-yl)pyrimidine-4,5-dione
Traditional Name:3-benzyl-6-(dihydroxymethylene)-2-(3-nitro-2-thienyl)pyrimidine-4,5-quinone
Formula: C16H11N3O6S
MolecularWeight: 373.34004
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NC(=C(O)O)C(=O)C2=O)C3=C(C=CS3)[N+](=O)[O-]


Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NC(=C(O)O)C(=O)C2=O)C3=C(C=CS3)[N+](=O)[O-]


InChI

InChI=1S/C16H11N3O6S/c20-12-11(16(22)23)17-14(13-10(19(24)25)6-7-26-13)18(15(12)21)8-9-4-2-1-3-5-9/h1-7,22-23H,8H2


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