7-butyl-8-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-1,3-dimethylpurine-2,6-dione (Q27164754)

MLS-0004183.0001 (English)

9 October 2016

chemical formula

C₂₂H₂₉ClN₆O₂

1 reference

MLS-0004183.0001 (English)

9 October 2016

canonical SMILES

CCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=CC(=CC=C4)Cl

1 reference

MLS-0004183.0001 (English)

InChI=1S/C22H29ClN6O2/c1-4-5-9-29-18(24-20-19(29)21(30)26(3)22(31)25(20)2)15-27-10-12-28(13-11-27)17-8-6-7-16(23)14-17/h6-8,14H,4-5,9-13,15H2,1-3H3

9 October 2016

Identifiers

InChI

1 reference

MLS-0004183.0001 (English)

CYKISVYTUCOJRU-UHFFFAOYSA-N

9 October 2016

InChIKey

2 references

MLS-0004183.0001 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

7-Butyl-8-{[4-(3-chlorophenyl)-1-piperazinyl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (English)

9 October 2016

2 references

MLS-0004183.0001 (English)

matched by identifier from

9 October 2016

InChIKey

CYKISVYTUCOJRU-UHFFFAOYSA-N

ChEBI ID

93024

mapping relation type

2 references

7-butyl-8-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-1,3-dimethylpurine-2,6-dione (English)

matched by identifier from

9 October 2016

International Chemical Identifier

InChI

InChI=1S/C22H29ClN6O2/c1-4-5-9-29-18(24-20-19(29)21(30)26(3)22(31)25(20)2)15-27-10-12-28(13-11-27)17-8-6-7-16(23)14-17/h6-8,14H,4-5,9-13,15H2,1-3H3

1 reference