577984-25-9
4-AMINO-6,7,8,9-TETRAHYDRO-PYRIMIDO[4,5-B]QUINOLINE-2(1H)-THIONE
Name4-AMINO-6,7,8,9-TETRAHYDRO-PYRIMIDO[4,5-B]QUINOLINE-2(1H)-THIONE
1Identification
【Name】
4-AMINO-6,7,8,9-TETRAHYDRO-PYRIMIDO[4,5-B]QUINOLINE-2(1H)-THIONE
【CAS】
【MDL】
MFCD03818623
【English Synonyms】
【Formula】
C11 H12 N4 S
【MolWeight】
232.31
【Inchi】
InChI=1S/C11H12N4S/c12-9-7-5-6-3-1-2-4-8(6)13-10(7)15-11(16)14-9/h5H,1-4H2,(H3,12,13,14,15,16)
【InChIKey】
InChIKey=PHFQIRCWFCHQMG-UHFFFAOYSA-N
【SMILES】
c1c2c(nc3c1c(nc(=S)[nH]3)N)CCCC2
【MOL File】
4-AMINO-6,7,8,9-TETR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-AMINO-6,7,8,9-TETRAHYDRO-PYRIMIDO[4,5-B]QUINOLINE-2(1H)-THIONE.cml