Molecule

8-{[2-(dimethylamino)ethyl]amino}-3-methyl-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione

AlkaPlorer ID: AK371450

Synonym: None

IUPAC Name: 8-[2-(dimethylamino)ethylamino]-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione

Structure

SMILES: CC1=CC(CN2C(NCCN(C)C)=NC3=C2C(=O)NC(=O)N3C)=CC=C1

InChI: InChI=1S/C18H24N6O2/c1-12-6-5-7-13(10-12)11-24-14-15(23(4)18(26)21-16(14)25)20-17(24)19-8-9-22(2)3/h5-7,10H,8-9,11H2,1-4H3,(H,19,20)(H,21,25,26)

InChIKey: DVOAFYACSHYASB-UHFFFAOYSA-N

Reference

Crystal Structures and Human Leukemia Cell Apoptosis Inducible Activities of Parthenolide Analogues Isolated from <i>Piptocoma rufescens</i>

PubChem CID: 988024

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Properties Information

Molecule Weight: 356.43000000000006

TPSA？: 87.95000000000002

MolLogP？: 0.7535200000000002

Number of H-Donors: 2

Number of H-Acceptors: 7

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi