7-(4-chlorobenzyl)-8-{[2-(diethylamino)ethyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
AlkaPlorer ID: AK370285
Synonym: None
IUPAC Name: 7-[(4-chlorophenyl)methyl]-8-[2-(diethylamino)ethylamino]-1,3-dimethylpurine-2,6-dione
Structure
SMILES: CCN(CC)CCNC1=NC2=C(C(=O)N(C)C(=O)N2C)N1CC1=CC=C(Cl)C=C1
InChI: InChI=1S/C20H27ClN6O2/c1-5-26(6-2)12-11-22-19-23-17-16(18(28)25(4)20(29)24(17)3)27(19)13-14-7-9-15(21)10-8-14/h7-10H,5-6,11-13H2,1-4H3,(H,22,23)
InChIKey: DSZZMEGRVVUHFJ-UHFFFAOYSA-N
Reference
PubChem CID: 986993
Source
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Properties Information
Molecule Weight: 418.9290000000001
TPSA？: 77.09
MolLogP？: 1.8891
Number of H-Donors: 1
Number of H-Acceptors: 8
RingCount: 3
Activities Information
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