3-[[4,6-bis(4-morpholinyl)-1,3,5-triazin-2-yl]amino]-3-(2-chlorophenyl)propanoic acid ethyl ester (Q27208771)

ethyl 3-(2-chlorophenyl)-3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]propanoate (English)

11 October 2016

chemical formula

C₂₂H₂₉ClN₆O₄

1 reference

ethyl 3-(2-chlorophenyl)-3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]propanoate (English)

11 October 2016

canonical SMILES

CCOC(=O)CC(C1=CC=CC=C1Cl)NC2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4

1 reference

ethyl 3-(2-chlorophenyl)-3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]propanoate (English)

InChI=1S/C22H29ClN6O4/c1-2-33-19(30)15-18(16-5-3-4-6-17(16)23)24-20-25-21(28-7-11-31-12-8-28)27-22(26-20)29-9-13-32-14-10-29/h3-6,18H,2,7-15H2,1H3,(H,24,25,26,27)

11 October 2016

Identifiers

InChI

1 reference

ethyl 3-(2-chlorophenyl)-3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]propanoate (English)

KZBGGLZPIXJGLN-UHFFFAOYSA-N

11 October 2016

InChIKey

2 references

ethyl 3-(2-chlorophenyl)-3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]propanoate (English)

11 October 2016

stated in

ChEBI release 2020-09-01

1 reference

Ethyl 3-(2-chlorophenyl)-3-{[4,6-di(4-morpholinyl)-1,3,5-triazin-2-yl]amino}propanoate (English)

11 October 2016

2 references

ethyl 3-(2-chlorophenyl)-3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]propanoate (English)

matched by identifier from

11 October 2016

InChIKey

KZBGGLZPIXJGLN-UHFFFAOYSA-N

ChEBI ID

120641

mapping relation type

2 references

3-[[4,6-bis(4-morpholinyl)-1,3,5-triazin-2-yl]amino]-3-(2-chlorophenyl)propanoic acid ethyl ester (English)

matched by identifier from

11 October 2016

International Chemical Identifier

InChI

InChI=1S/C22H29ClN6O4/c1-2-33-19(30)15-18(16-5-3-4-6-17(16)23)24-20-25-21(28-7-11-31-12-8-28)27-22(26-20)29-9-13-32-14-10-29/h3-6,18H,2,7-15H2,1H3,(H,24,25,26,27)

1 reference