8,8'-Methanediylbis(1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione)

HCID 225071

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 5429-47-0
Standard SMILES: Cn1c(=O)c2c(nc(Cc3nc4c(c(=O)n(C)c(=O)n4C)n3C)n2C)n(C)c1=O
InChIKey: ZXJPXXHBOWFZDB-UHFFFAOYSA-N
Molecular formula: C17H20N8O4
Average molar mass: 400.4 g/mol
Monoisotopic mass: 400.16075115

Names & identifiers

Preferred name: 8,8'-Methanediylbis(1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione)
IUPAC: 1,3,7-trimethyl-8-[(1,3,7-trimethyl-2,6-dioxopurin-8-yl)methyl]purine-2,6-dione

Names & synonyms

5429-47-08,8'-methanediylbis(1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione)NSC14145DTXSID60279795NSC-141458,8'-Methylenebis(1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione)

Database identifiers

CAS: 5429-47-0
PubChem CID: 225071
DTXSID: DTXSID60279795

Properties

Computed structural properties

XLogP: -0.8
Topological polar surface area: 117 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 29
Formal charge: 0
Complexity: 715

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…