Molecule

N-(3-methylphenyl)-2-{[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}acetamide

AlkaPlorer ID: AK182461

Synonym: None

IUPAC Name: N-(3-methylphenyl)-2-[[9-(4-methylphenyl)-6-oxo-1H-purin-8-yl]sulfanyl]acetamide

Structure

SMILES: CC1=CC=C(N2C(SCC(=O)NC3=CC=CC(C)=C3)=NC3=C2N=CNC3=O)C=C1

InChI: InChI=1S/C21H19N5O2S/c1-13-6-8-16(9-7-13)26-19-18(20(28)23-12-22-19)25-21(26)29-11-17(27)24-15-5-3-4-14(2)10-15/h3-10,12H,11H2,1-2H3,(H,24,27)(H,22,23,28)

InChIKey: FGPBTIMXKGYLEE-UHFFFAOYSA-N

Reference

Polyphenolic compounds in the fruits of Egyptian medicinal plants (Terminalia bellerica, Terminalia chebula and Terminalia horrida): Characterization, quantitation and determination of antioxidant capacities

PubChem CID: 135648028

COCONUT: CNP0010324

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Properties Information

Molecule Weight: 405.4830000000001

TPSA？: 92.67

MolLogP？: 3.456440000000001

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi