943844-60-8
5H-PYRROLO[3,2-D]PYRIMIDINE-4-CARBOXYLIC ACID, 7-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-
Name5H-PYRROLO[3,2-D]PYRIMIDINE-4-CARBOXYLIC ACID, 7-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-
1Identification
【Name】
5H-PYRROLO[3,2-D]PYRIMIDINE-4-CARBOXYLIC ACID, 7-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-
【CAS】
【MDL】
MFCD17012975
【English Synonyms】
【Formula】
C12 H14 N4 O4
【MolWeight】
278.267
【Inchi】
InChI=1S/C12H14N4O4/c1-12(2,3)20-11(19)16-6-4-13-8-7(6)14-5-15-9(8)10(17)18/h4-5,13H,1-3H3,(H,16,19)(H,17,18)
【InChIKey】
InChIKey=OKMPZWAHLFPYIG-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)Nc1c[nH]c2c1ncnc2C(=O)O
【MOL File】
5H-PYRROLO[3,2-D]PYR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:8
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5H-PYRROLO[3,2-D]PYRIMIDINE-4-CARBOXYLIC ACID, 7-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-.cml