4-[[2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylthio)-1-oxoethyl]amino]benzoic acid butyl ester (Q27195893)

MLS000535934 (English)

11 October 2016

chemical formula

C₂₃H₂₄N₄O₃S

1 reference

MLS000535934 (English)

11 October 2016

canonical SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C4N2N=CC4

1 reference

MLS000535934 (English)

InChI=1S/C23H24N4O3S/c1-2-3-14-30-22(29)16-8-10-17(11-9-16)25-21(28)15-31-23-26-19-7-5-4-6-18(19)20-12-13-24-27(20)23/h4-11,13,20H,2-3,12,14-15H2,1H3,(H,25,28)

11 October 2016

Identifiers

InChI

1 reference

MLS000535934 (English)

LIUBRVKLSBHUPW-UHFFFAOYSA-N

11 October 2016

InChIKey

2 references

MLS000535934 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

1 reference

Butyl 4-{[(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)acetyl]amino}benzoate (English)

11 October 2016

2 references

MLS000535934 (English)

matched by identifier from

11 October 2016

InChIKey

LIUBRVKLSBHUPW-UHFFFAOYSA-N

ChEBI ID

114490

mapping relation type

2 references

4-[[2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylthio)-1-oxoethyl]amino]benzoic acid butyl ester (English)

matched by identifier from

11 October 2016

International Chemical Identifier

InChI

InChI=1S/C23H24N4O3S/c1-2-3-14-30-22(29)16-8-10-17(11-9-16)25-21(28)15-31-23-26-19-7-5-4-6-18(19)20-12-13-24-27(20)23/h4-11,13,20H,2-3,12,14-15H2,1H3,(H,25,28)

1 reference