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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=O)NC1=O)COCCO)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(N(C(=O)NC1=O)COCCO)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

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