Molecule

2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-7-(4-methylphenyl)thieno[3,2-d]pyrimidin-4(3H)-one

AlkaPlorer ID: AK465244

Synonym: None

IUPAC Name: 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-7-(4-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one

Structure

SMILES: CC1=CC=C(C2=CSC3=C2N=C(N2CCC4(CC2)OCCO4)NC3=O)C=C1

InChI: InChI=1S/C20H21N3O3S/c1-13-2-4-14(5-3-13)15-12-27-17-16(15)21-19(22-18(17)24)23-8-6-20(7-9-23)25-10-11-26-20/h2-5,12H,6-11H2,1H3,(H,21,22,24)

InChIKey: NEVOGOQOJZRROA-UHFFFAOYSA-N

Reference

Precursor-Directed Biosynthesis of Phenylbenzoisoquinolindione Alkaloids and the Discovery of a Phenylphenalenone-Based Plant Defense Mechanism

PubChem CID: 135630916

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Properties Information

Molecule Weight: 383.4730000000001

TPSA？: 67.45

MolLogP？: 3.303320000000002

Number of H-Donors: 1

Number of H-Acceptors: 6

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi