6-(1,3-benzodioxol-5-yl)-N-[(4-methyl-2-thiophenyl)methyl]-4-quinazolinamine (Q27164954)

CHEMBL566061 (English)

9 October 2016

chemical formula

C₂₁H₁₇N₃O₂S

1 reference

CHEMBL566061 (English)

9 October 2016

canonical SMILES

CC1=CSC(=C1)CNC2=NC=NC3=C2C=C(C=C3)C4=CC5=C(C=C4)OCO5

1 reference

CHEMBL566061 (English)

InChI=1S/C21H17N3O2S/c1-13-6-16(27-10-13)9-22-21-17-7-14(2-4-18(17)23-11-24-21)15-3-5-19-20(8-15)26-12-25-19/h2-8,10-11H,9,12H2,1H3,(H,22,23,24)

9 October 2016

Identifiers

InChI

1 reference

CHEMBL566061 (English)

ILSGPCUGHZGSDN-UHFFFAOYSA-N

9 October 2016

InChIKey

2 references

CHEMBL566061 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

6-(1,3-Benzodioxol-5-yl)-N-[(4-methyl-2-thienyl)methyl]-4-quinazolinamine (English)

9 October 2016

1 reference

CHEMBL566061 (English)

9 October 2016

ChEBI ID

93236

mapping relation type

2 references

6-(1,3-benzodioxol-5-yl)-N-[(4-methyl-2-thiophenyl)methyl]-4-quinazolinamine (English)

matched by identifier from

9 October 2016

International Chemical Identifier

InChI

InChI=1S/C21H17N3O2S/c1-13-6-16(27-10-13)9-22-21-17-7-14(2-4-18(17)23-11-24-21)15-3-5-19-20(8-15)26-12-25-19/h2-8,10-11H,9,12H2,1H3,(H,22,23,24)

1 reference