4-[8-Benzylsulfanyl-2-(4-ethylpiperazin-1-yl)pyrimido[5,4-d]pyrimidin-4-yl]morpholine

HCID 20150145
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Basic information

Standard SMILES
CCN1CCN(c2nc(N3CCOCC3)c3ncnc(SCc4ccccc4)c3n2)CC1
InChIKey
ATIKRFHNNCVYDE-UHFFFAOYSA-N
Molecular formula
C23H29N7OS
Average molar mass
451.6 g/mol

Names & identifiers

Preferred name
4-[8-Benzylsulfanyl-2-(4-ethylpiperazin-1-yl)pyrimido[5,4-d]pyrimidin-4-yl]morpholine
IUPAC
4-[8-benzylsulfanyl-2-(4-ethylpiperazin-1-yl)pyrimido[5,4-d]pyrimidin-4-yl]morpholine

Names & synonyms

SCHEMBL10666437

Database identifiers

PubChem CID
20150145

Properties

Computed structural properties

XLogP
3
Topological polar surface area
95.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
6
Heavy atoms
32

Related reactions

1 records
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Compound notes

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