[4-(8-Benzylsulfanyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone

HCID 20187359
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Basic information

Standard SMILES
O=C(c1cccs1)N1CCN(c2nc(N3CCOCC3)c3ncnc(SCc4ccccc4)c3n2)CC1
InChIKey
OTLGGNUMSJNLIL-UHFFFAOYSA-N
Molecular formula
C26H27N7O2S2
Average molar mass
533.7 g/mol

Names & identifiers

Preferred name
[4-(8-Benzylsulfanyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone
IUPAC
[4-(8-benzylsulfanyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone

Names & synonyms

SCHEMBL10761264

Database identifiers

PubChem CID
20187359

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
141 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
10
Rotatable bonds
6
Heavy atoms
37

Related reactions

1 records
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Compound notes

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