6-(3,5-dimethylphenyl)sulfanyl-1-(ethoxymethyl)-5-nitro-pyrimidine-2,4-dione

Systemtic Name: 6-(3,5-dimethylphenyl)sulfanyl-1-(ethoxymethyl)-5-nitro-pyrimidine-2,4-dione Openeye Name: 6-(3,5-dimethylphenyl)sulfanyl-1-(ethoxymethyl)-5-nitro-pyrimidine-2,4-dione CAS Name: 6-[(3,5-dimethylphenyl)thio]-1-(ethoxymethyl)-5-nitropyrimidine-2,4-dione IUPAC Name: 6-(3,5-dimethylphenyl)sulfanyl-1-(ethoxymethyl)-5-nitropyrimidine-2,4-dione Traditional Name: 6-[(3,5-dimethylphenyl)thio]-1-(ethoxymethyl)-5-nitro-pyrimidine-2,4-quinone Formula: C15H17N3O5S MolecularWeight: 351.37758

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Descriptors Computed from Structure

Canonical SMILES:

CCOCN1C(=C(C(=O)NC1=O)[N+](=O)[O-])SC2=CC(=CC(=C2)C)C

Isomeric SMILES

CCOCN1C(=C(C(=O)NC1=O)[N+](=O)[O-])SC2=CC(=CC(=C2)C)C

InChI

InChI=1S/C15H17N3O5S/c1-4-23-8-17-14(12(18(21)22)13(19)16-15(17)20)24-11-6-9(2)5-10(3)7-11/h5-7H,4,8H2,1-3H3,(H,16,19,20)