主记录
merbarone
- CAS
- 97534-21-9
- PubChem CID
- 3000671
- SMILES
- C1=CC=C(C=C1)NC(=O)C2=C(NC(=S)NC2=O)O
- 分子式
- C11H9N3O3S
- 分子量
- 263.278
- 精确分子量
- 263.0365
- InChI
- InChI=1S/C11H9N3O3S/c15-8(12-6-4-2-1-3-5-6)7-9(16)13-11(18)14-10(7)17/h1-5H,(H,12,15)(H3,13,14,16,17,18)
- InChIKey
- GFYRZTLCYQQVHZ-UHFFFAOYSA-N
- LogP
- 1.3904
- TPSA
- 97.98
名称与别名
- merbarone
- AC1MHDAW
- CC-PMLSC-PW-kmcmerbarone
- NCIMech_000589
- MLS000541751
- GFYRZTLCYQQVHZ-UHFFFAOYSA-N
- NSC336628
- SCHEMBL5953740
- CHEMBL1600807
- CHEMBL1765797
- SCHEMBL19236433
- BDBM46106
- cid_3000671
- CTK3I7057
- UPDDI-00294859
- HMS2198P18
- NSC-336628
- CCG-35687
- CCG-36359
- 97534-21-9
- ZINC100473964
- CID3000671
- NSC 336628
- SB60231
- NCGC00247369-01
- NCI60_002957
- SMR000472460
- NS00122441
- J1.422.910H
- 6-hydroxy-4-oxo-N-phenyl-2-sulfanylidene-1H-pyrimidine-5-carboxamide