6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methyl-2-thiophenyl)methyl]-4-quinazolinamine (Q27164955)

CHEMBL568636 (English)

9 October 2016

chemical formula

C₂₂H₁₉N₃O₂S

1 reference

CHEMBL568636 (English)

9 October 2016

canonical SMILES

CC1=CSC(=C1)CNC2=NC=NC3=C2C=C(C=C3)C4=CC5=C(C=C4)OCCO5

1 reference

CHEMBL568636 (English)

InChI=1S/C22H19N3O2S/c1-14-8-17(28-12-14)11-23-22-18-9-15(2-4-19(18)24-13-25-22)16-3-5-20-21(10-16)27-7-6-26-20/h2-5,8-10,12-13H,6-7,11H2,1H3,(H,23,24,25)

9 October 2016

Identifiers

InChI

1 reference

CHEMBL568636 (English)

CPGZGDUXBGTOQD-UHFFFAOYSA-N

9 October 2016

InChIKey

2 references

CHEMBL568636 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

6-(2,3-Dihydro-1,4-benzodioxin-6-yl)-N-[(4-methyl-2-thienyl)methyl]-4-quinazolinamine (English)

9 October 2016

2 references

CHEMBL568636 (English)

matched by identifier from

9 October 2016

InChIKey

CPGZGDUXBGTOQD-UHFFFAOYSA-N

ChEBI ID

93237

mapping relation type

2 references

6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methyl-2-thiophenyl)methyl]-4-quinazolinamine (English)

matched by identifier from

9 October 2016

International Chemical Identifier

InChI

InChI=1S/C22H19N3O2S/c1-14-8-17(28-12-14)11-23-22-18-9-15(2-4-19(18)24-13-25-22)16-3-5-20-21(10-16)27-7-6-26-20/h2-5,8-10,12-13H,6-7,11H2,1H3,(H,23,24,25)

1 reference