1,3-dimethyl-5-nitro-6-(phenylmethylsulfanyl)pyrimidine-2,4-dione

Systemtic Name: 1,3-dimethyl-5-nitro-6-(phenylmethylsulfanyl)pyrimidine-2,4-dione Openeye Name: 6-benzylsulfanyl-1,3-dimethyl-5-nitro-pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-5-nitro-6-(phenylmethylthio)pyrimidine-2,4-dione IUPAC Name: 6-benzylsulfanyl-1,3-dimethyl-5-nitropyrimidine-2,4-dione Traditional Name: 6-(benzylthio)-1,3-dimethyl-5-nitro-pyrimidine-2,4-quinone Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)[N+](=O)[O-])SCC2=CC=CC=C2

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)[N+](=O)[O-])SCC2=CC=CC=C2

InChI

InChI=1S/C13H13N3O4S/c1-14-11(17)10(16(19)20)12(15(2)13(14)18)21-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3