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N-[(3R,4R)-3-[[6-(2,6-dichloro-3,5-dimethoxy-phenyl)quinazolin-2-yl]amino]tetrahydropyran-4-yl]prop-2-enamide , CAS No.1707289-24-4

COA

Cas Number: 1707289-24-4
Molecular Weight: 503.4
PubChem CID: 118041421

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Item Number

N669863

Grouped product items
SKU	Size	Availability	Price	Qty
N669863-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,035.90
N669863-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,070.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazanaphthalenes
    - Subclass Benzodiazines
      - Level5 Quinazolines
        Level6 Quinazolinamines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazanaphthalenes
Subclass	Benzodiazines
Intermediate Tree Nodes	Quinazolines
Direct Parent	Quinazolinamines
Alternative Parents	Phenoxy compounds Methoxybenzenes Anisoles Secondary alkylarylamines Chlorobenzenes Alkyl aryl ethers Oxanes Hydropyrimidines Heteroaromatic compounds Amino acids and derivatives Vinyl chlorides Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Dialkyl ethers Chloroalkenes Carboxylic acid amides Carboximidamides Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Quinazolinamine - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Secondary aliphatic/aromatic amine - Halobenzene - Chlorobenzene - Alkyl aryl ether - Benzenoid - Pyrimidine - Oxane - 5,6-dihydropyrimidine - Hydropyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Carboxamide group - Amino acid or derivatives - Oxacycle - Azacycle - Chloroalkene - Haloalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Vinyl halide - Vinyl chloride - Secondary amine - Ether - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	N-[(3R,4R)-3-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]oxan-4-yl]prop-2-enamide
INCHI	InChI=1S/C24H24Cl2N4O4/c1-4-20(31)28-16-7-8-34-12-17(16)30-24-27-11-14-9-13(5-6-15(14)29-24)21-22(25)18(32-2)10-19(33-3)23(21)26/h4-6,9-11,16-17H,1,7-8,12H2,2-3H3,(H,28,31)(H,27,29,30)/t16-,17+/m1/s1
InChIKey	MGZKYOAQVGSSGC-SJORKVTESA-N
Smiles	C=CC(=O)N[C@H]1[C@H](COCC1)NC2=NC3=C(C=N2)C=C(C=C3)C4=C(Cl)C(OC)=CC(OC)=C4Cl
Isomeric SMILES	COC1=CC(=C(C(=C1Cl)C2=CC3=CN=C(N=C3C=C2)N[C@H]4COCC[C@H]4NC(=O)C=C)Cl)OC
PubChem CID	118041421
Molecular Weight	503.4

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