726152-43-8
(1-BENZYL-3-METHYL-2,4,6-TRIOXO-2,3,4,5,6,7-HEXAHYDRO-1H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ACETIC ACID
Name(1-BENZYL-3-METHYL-2,4,6-TRIOXO-2,3,4,5,6,7-HEXAHYDRO-1H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ACETIC ACID
1Identification
【Name】
(1-BENZYL-3-METHYL-2,4,6-TRIOXO-2,3,4,5,6,7-HEXAHYDRO-1H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ACETIC ACID
【CAS】
【MDL】
MFCD03964578
【English Synonyms】
【Formula】
C16 H15 N3 O5
【MolWeight】
329.31
【Inchi】
InChI=1S/C16H15N3O5/c1-18-15(23)12-10(7-11(20)21)14(22)17-13(12)19(16(18)24)8-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,17,22)(H,20,21)
【InChIKey】
InChIKey=NTANXJOWCZATGH-UHFFFAOYSA-N
【SMILES】
Cn1c(=O)c2c(n(c1=O)Cc3ccccc3)NC(=O)C2CC(=O)O
【MOL File】
(1-BENZYL-3-METHYL-2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(1-BENZYL-3-METHYL-2,4,6-TRIOXO-2,3,4,5,6,7-HEXAHYDRO-1H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ACETIC ACID.cml