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4,6,13,15-Tetramethyl-9-phenyl-1,4,6,8,10,11,13,15-octazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),8,12(17)-triene-3,5,14,16-tetrone

HCID 324893
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Basic information

CAS
66869-93-0
Standard SMILES
Cn1c2c(c(=O)n(C)c1=O)N1c3c(n(C)c(=O)n(C)c3=O)NN1C(c1ccccc1)=N2
InChIKey
BKJAOXONWZZNCJ-UHFFFAOYSA-N
Molecular formula
C19H18N8O4
Average molar mass
422.4 g/mol
Monoisotopic mass
422.14510109

Names & identifiers

Preferred name
4,6,13,15-Tetramethyl-9-phenyl-1,4,6,8,10,11,13,15-octazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),8,12(17)-triene-3,5,14,16-tetrone
IUPAC
4,6,13,15-tetramethyl-9-phenyl-1,4,6,8,10,11,13,15-octazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),8,12(17)-triene-3,5,14,16-tetrone

Names & synonyms

NSC29186966869-93-0DTXSID80315083NSC-2918692,4,9,11-Tetramethyl-6-phenyl-8H-pyrimido[4,5-e]pyrimido[4',5':4,5][1,2,3]triazolo[1,2-a][1,2,4]triazine-1,3,10,12(2H,4H,9H,11H)-tetrone

Database identifiers

CAS
66869-93-0
PubChem CID
324893
DTXSID
DTXSID80315083

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
112 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
1
Heavy atoms
31
Formal charge
0
Complexity
1,020

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Compound notes

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