885459-88-1
7-CYCLOPROPYL-3-METHYL-1-PROPYL-5-THIOXO-5,6-DIHYDROPYRIMIDO[4,5-D]PYRIMIDINE-2,4(1H,3H)-DIONE
Name7-CYCLOPROPYL-3-METHYL-1-PROPYL-5-THIOXO-5,6-DIHYDROPYRIMIDO[4,5-D]PYRIMIDINE-2,4(1H,3H)-DIONE
1Identification
【Name】
7-CYCLOPROPYL-3-METHYL-1-PROPYL-5-THIOXO-5,6-DIHYDROPYRIMIDO[4,5-D]PYRIMIDINE-2,4(1H,3H)-DIONE
【CAS】
【MDL】
MFCD06660492
【English Synonyms】
【Formula】
C13 H16 N4 O2 S
【MolWeight】
292.361
【Inchi】
InChI=1S/C13H16N4O2S/c1-3-6-17-10-8(12(18)16(2)13(17)19)11(20)15-9(14-10)7-4-5-7/h7H,3-6H2,1-2H3,(H,14,15,20)
【InChIKey】
InChIKey=PSYTXXYAZNTCQU-UHFFFAOYSA-N
【SMILES】
CCCn1c2c(c(=S)[nH]c(n2)C3CC3)c(=O)n(c1=O)C
【MOL File】
7-CYCLOPROPYL-3-METH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
7-CYCLOPROPYL-3-METHYL-1-PROPYL-5-THIOXO-5,6-DIHYDROPYRIMIDO[4,5-D]PYRIMIDINE-2,4(1H,3H)-DIONE.cml