872038-81-8
2,3,4,7,8,9,10,13-OCTAHYDRO-1,3,8,10-TETRAMETHYL-2,4,7,9-TETRAOXO-13-PHENYL-PYRIMIDO[5,4:4,5]FURO[2,3:4,5]CYCLOHEPTA[1,2:4,5]PYRROLO[2,3-D]PYRIMIDINIUM
Name
2,3,4,7,8,9,10,13-OCTAHYDRO-1,3,8,10-TETRAMETHYL-2,4,7,9-TETRAOXO-13-PHENYL-PYRIMIDO[5,4:4,5]FURO[2,3:4,5]CYCLOHEPTA[1,2:4,5]PYRROLO[2,3-D]PYRIMIDINIUM
pro_formula
C25H20N5O5
pro_molWeight
470.463
1Identification
【Name】
2,3,4,7,8,9,10,13-OCTAHYDRO-1,3,8,10-TETRAMETHYL-2,4,7,9-TETRAOXO-13-PHENYL-PYRIMIDO[5,4:4,5]FURO[2,3:4,5]CYCLOHEPTA[1,2:4,5]PYRROLO[2,3-D]PYRIMIDINIUM
【CAS】
【MDL】
MFCD17018384
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C25H20N5O5
【pro_molWeight】
470.463
【Inchi】
InChI=1S/C25H20N5O5/c1-26-20-18(21(31)27(2)24(26)33)14-10-11-15-17(12-16(14)30(20)13-8-6-5-7-9-13)35-23-19(15)22(32)28(3)25(34)29(23)4/h5-12H,1-4H3/q+1
【InChIKey】
InChIKey=ZKEVAHQXLAHBQG-UHFFFAOYSA-N
【SMILES】
CN1C2=C(C3=C(O2)C=C2N(C4=[N+](C)C(=O)N(C)C(=O)C4=C2C=C3)C2=CC=CC=C2)C(=O)N(C)C1=O
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:10
XLogP3:0.6062
Bulk/Fine:F