544705-51-3
BENZAMIDE, N-(1,4-DIHYDRO-6-MERCAPTO-4-OXO-5-PYRIMIDINYL)-
NameBENZAMIDE, N-(1,4-DIHYDRO-6-MERCAPTO-4-OXO-5-PYRIMIDINYL)-
1Identification
【Name】
BENZAMIDE, N-(1,4-DIHYDRO-6-MERCAPTO-4-OXO-5-PYRIMIDINYL)-
【CAS】
【MDL】
MFCD18824592
【English Synonyms】
【Formula】
C11 H9 N3 O2 S
【MolWeight】
247.277
【Inchi】
InChI=1S/C11H9N3O2S/c15-9(7-4-2-1-3-5-7)14-8-10(16)12-6-13-11(8)17/h1-6H,(H,14,15)(H2,12,13,16,17)
【InChIKey】
InChIKey=CVCQPTRHOKVVHF-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)C(=O)Nc2c([nH]cnc2=O)S
【MOL File】
BENZAMIDE, N-(1,4-DI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BENZAMIDE, N-(1,4-DIHYDRO-6-MERCAPTO-4-OXO-5-PYRIMIDINYL)-.cml