3-(2-hydroxyethyloxymethyl)-5-methyl-6-(2-nitrophenyl)-1-sulfanyl-pyrimidine-2,4-dione

Systemtic Name: 3-(2-hydroxyethyloxymethyl)-5-methyl-6-(2-nitrophenyl)-1-sulfanyl-pyrimidine-2,4-dione Openeye Name: 3-(2-hydroxyethoxymethyl)-5-methyl-6-(2-nitrophenyl)-1-sulfanyl-pyrimidine-2,4-dione CAS Name: 3-(2-hydroxyethoxymethyl)-1-mercapto-5-methyl-6-(2-nitrophenyl)pyrimidine-2,4-dione IUPAC Name: 3-(2-hydroxyethoxymethyl)-5-methyl-6-(2-nitrophenyl)-1-sulfanylpyrimidine-2,4-dione Traditional Name: 3-(2-hydroxyethoxymethyl)-1-mercapto-5-methyl-6-(2-nitrophenyl)pyrimidine-2,4-quinone Formula: C14H15N3O6S MolecularWeight: 353.3504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=O)N(C1=O)COCCO)S)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=C(N(C(=O)N(C1=O)COCCO)S)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O6S/c1-9-12(10-4-2-3-5-11(10)17(21)22)16(24)14(20)15(13(9)19)8-23-7-6-18/h2-5,18,24H,6-8H2,1H3