159418-12-9
5-AMINO-1-(7-METHYLPYRIMIDO(5,4-C)CINNOLIN-4-YL)-3-(METHYLTHIO)-1H-PYRAZOLE-4-CARBOXAMIDE
Name5-AMINO-1-(7-METHYLPYRIMIDO(5,4-C)CINNOLIN-4-YL)-3-(METHYLTHIO)-1H-PYRAZOLE-4-CARBOXAMIDE
1Identification
【Name】
5-AMINO-1-(7-METHYLPYRIMIDO(5,4-C)CINNOLIN-4-YL)-3-(METHYLTHIO)-1H-PYRAZOLE-4-CARBOXAMIDE
【CAS】
【MDL】
MFCD01758034
【English Synonyms】
【Formula】
C16 H14 N8 O S
【MolWeight】
366.408
【Inchi】
InChI=1S/C16H14N8OS/c1-7-4-3-5-8-10(7)21-22-12-11(8)19-6-20-15(12)24-13(17)9(14(18)25)16(23-24)26-2/h3-6H,17H2,1-2H3,(H2,18,25)
【InChIKey】
InChIKey=HLSPNKVYBWYFMN-UHFFFAOYSA-N
【SMILES】
Cc1cccc2c1nnc3c2ncnc3n4c(c(c(n4)SC)C(=O)N)N
【MOL File】
5-AMINO-1-(7-METHYLP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:9
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-AMINO-1-(7-METHYLPYRIMIDO(5,4-C)CINNOLIN-4-YL)-3-(METHYLTHIO)-1H-PYRAZOLE-4-CARBOXAMIDE.cml