5-(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)-1-ethyl-6-hydroxy-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one

AlkaPlorer ID: AK414283

Synonym: None

IUPAC Name: 5-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-1-ethyl-6-hydroxy-2-sulfanylidenepyrimidin-4-one

Structure

SMILES: CCN1C(O)=C(C2OC(=O)C3=C2C=CC(OC)=C3OC)C(=O)NC1=S

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InChI: InChI=1S/C16H16N2O6S/c1-4-18-14(20)10(13(19)17-16(18)25)11-7-5-6-8(22-2)12(23-3)9(7)15(21)24-11/h5-6,11,20H,4H2,1-3H3,(H,17,19,25)

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InChIKey: IQROFDNPECNEHP-UHFFFAOYSA-N

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Reference

None

PubChem CID: 4434965

COCONUT: CNP0217536.2

Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 364.3790000000001

TPSA: 102.78

MolLogP: 1.90839

Number of H-Donors: 2

Number of H-Acceptors: 8

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information