Catalog Number:
AG01BRMX
Chemical Name:
4-[(6-methyl-4-oxo-1,4-dihydropyrimidin-2-yl)sulfanyl]-3-nitrobenzoic acid
CAS Number:
710315-25-6
Molecular Formula:
C12H9N3O5S
Molecular Weight:
307.2820
MDL Number:
MFCD13354436
IUPAC Name:
4-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-3-nitrobenzoic acid
InChI:
InChI=1S/C12H9N3O5S/c1-6-4-10(16)14-12(13-6)21-9-3-2-7(11(17)18)5-8(9)15(19)20/h2-5H,1H3,(H,17,18)(H,13,14,16)
InChI Key:
LJFCOOQGQCUESF-UHFFFAOYSA-N
SMILES:
O=c1cc(C)[nH]c(n1)Sc1ccc(cc1[N+](=O)[O-])C(=O)O
