502181-08-0
DIMETHYL 2-AMINO-5-(3-NITROBENZOYL)PYRIMIDINE-4,6-DICARBOXYLATE
NameDIMETHYL 2-AMINO-5-(3-NITROBENZOYL)PYRIMIDINE-4,6-DICARBOXYLATE
1Identification
【Name】
DIMETHYL 2-AMINO-5-(3-NITROBENZOYL)PYRIMIDINE-4,6-DICARBOXYLATE
【CAS】
【MDL】
MFCD16659908
【English Synonyms】
【Formula】
C15 H12 N4 O7
【MolWeight】
360.281
【Inchi】
InChI=1S/C15H12N4O7/c1-25-13(21)10-9(11(14(22)26-2)18-15(16)17-10)12(20)7-4-3-5-8(6-7)19(23)24/h3-6H,1-2H3,(H2,16,17,18)
【InChIKey】
InChIKey=ALRVPSJKZUTSMT-UHFFFAOYSA-N
【SMILES】
COC(=O)c1c(c(nc(n1)N)C(=O)OC)C(=O)c2cccc(c2)[N+](=O)[O-]
【MOL File】
DIMETHYL 2-AMINO-5-(….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:11
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
DIMETHYL 2-AMINO-5-(3-NITROBENZOYL)PYRIMIDINE-4,6-DICARBOXYLATE.cml