57712-57-9
1-ETHYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBONITRILE
Name1-ETHYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBONITRILE
1Identification
【Name】
1-ETHYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBONITRILE
【CAS】
【MDL】
MFCD08444485
【English Synonyms】
【Formula】
C7 H7 N3 O2
【MolWeight】
165.151
【Inchi】
InChI=1S/C7H7N3O2/c1-2-10-4-5(3-8)6(11)9-7(10)12/h4H,2H2,1H3,(H,9,11,12)
【InChIKey】
InChIKey=NXKKERVRGXKVFU-UHFFFAOYSA-N
【SMILES】
CCn1cc(c(=O)[nH]c1=O)C#N
【MOL File】
1-ETHYL-2,4-DIOXO-1,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-ETHYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBONITRILE.cml