164029-07-6
5,6-Dihydropyrimido[4,5-b][1,5]benzothiazepine-2,4(1H,3H)-dione
Name5,6-Dihydropyrimido[4,5-b][1,5]benzothiazepine-2,4(1H,3H)-dione
1Identification
【Name】
5,6-Dihydropyrimido[4,5-b][1,5]benzothiazepine-2,4(1H,3H)-dione
【CAS】
【MDL】
【English Synonyms】
【Formula】
C11H9N3O2S
【MolWeight】
247.273
【Inchi】
InChI=1S/C11H9N3O2S/c15-9-6-5-12-7-3-1-2-4-8(7)17-10(6)14-11(16)13-9/h1-4,12H,5H2,(H2,13,14,15,16)
【InChIKey】
InChIKey=BKAOWHRJMLKCPV-UHFFFAOYSA-N
【SMILES】
N1C(NC(C2=C1SC1=C(NC2)C=CC=C1)=O)=O
【MOL File】
5,6-Dihydropyrimido[….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:0.0
Bulk/Fine:
3Material Safety Data Sheet(MSDS)
4CML File
5,6-Dihydropyrimido[4,5-b][1,5]benzothiazepine-2,4(1H,3H)-dione.cml