519056-48-5
3-BENZYL-1-CYCLOPROPYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBONITRILE
Name
3-BENZYL-1-CYCLOPROPYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBONITRILE
Formula
C15 H13 N3 O2
MolWeight
267.287
1Identification
【Name】
3-BENZYL-1-CYCLOPROPYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBONITRILE
【CAS】
【MDL】
MFCD00831086
【English Synonyms】
【Formula】
C15 H13 N3 O2
【MolWeight】
267.287
【Inchi】
InChI=1S/C15H13N3O2/c16-8-12-10-17(13-6-7-13)15(20)18(14(12)19)9-11-4-2-1-3-5-11/h1-5,10,13H,6-7,9H2
【InChIKey】
InChIKey=DYNRGCRARBTMCE-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)Cn2c(=O)c(cn(c2=O)C3CC3)C#N
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-BENZYL-1-CYCLOPROPYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBONITRILE.cml
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