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Details

Stereochemistry ACHIRAL
Molecular Formula C21H21N3O5
Molecular Weight 395.4085
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-ETHYNYL-4-((6-(2-HYDROXYETHOXY)-7-(2-METHOXYETHOXY)QUINAZOLIN-4-YL)AMINO)PHENOL

SMILES

COCCOC1=CC2=NC=NC(NC3=CC=C(O)C(=C3)C#C)=C2C=C1OCCO

InChI

InChIKey=KTVMWNNTYIAZAL-UHFFFAOYSA-N
InChI=1S/C21H21N3O5/c1-3-14-10-15(4-5-18(14)26)24-21-16-11-19(28-7-6-25)20(29-9-8-27-2)12-17(16)22-13-23-21/h1,4-5,10-13,25-26H,6-9H2,2H3,(H,22,23,24)

HIDE SMILES / InChI

Molecular Formula C21H21N3O5
Molecular Weight 395.4085
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
8XM9WDB2RD
Record Status Validated (UNII)
Record Version