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7-((4-((1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl)-1-piperazinyl)methyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

HCID 270751
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
4902-17-4
Standard SMILES
Cn1c(=O)c2c(ncn2CN2CCN(Cn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)n(C)c1=O
InChIKey
QWNZKLOXUCIPHH-UHFFFAOYSA-N
Molecular formula
C20H26N10O4
Average molar mass
470.5 g/mol
Monoisotopic mass
470.21384935

Names & identifiers

Preferred name
7-((4-((1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl)-1-piperazinyl)methyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
IUPAC
7-[[4-[(1,3-dimethyl-2,6-dioxopurin-7-yl)methyl]piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione

Names & synonyms

NSC1134914902-17-4NSC-1134917-[[4-[(1,3-dimethyl-2,6-dioxopurin-7-yl)methyl]piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione7-((4-((1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl)-1-piperazinyl)methyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dioneNCIStruc1_001340NCIStruc2_001810CHEMBL1741542DTXSID80297057CCG-37287NCGC00014133NCI113491
Show more names
AKOS024429196NCGC00014133-02NCGC00097242-01NCI60_000301ST512534917,7'-[Piperazine-1,4-diylbis(methylene)]bis(1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione)

Database identifiers

CAS
4902-17-4
PubChem CID
270751
DTXSID
DTXSID80297057
ChEMBL
CHEMBL1741542

Properties

Computed structural properties

XLogP
-1.2
Topological polar surface area
123 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
4
Heavy atoms
34
Formal charge
0
Complexity
809

Related reactions

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Compound notes

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