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Details

Stereochemistry ACHIRAL
Molecular Formula C28H35N7O4S
Molecular Weight 565.687
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-ETHYL-5-(5-((4-ETHYLPIPERAZIN-1-YL)SULFONYL)-2-PROPOXYPHENYL)-2-(PYRIDIN-2-YLMETHYL)-2,6-DIHYDRO-7H-PYRAZOLO(4,3-D)PYRIMIDIN-7-ONE

SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC)CC2)C3=NC4=C(CC)N(CC5=CC=CC=N5)N=C4C(=O)N3

InChI

InChIKey=NIBCDDKWFDEBEP-UHFFFAOYSA-N
InChI=1S/C28H35N7O4S/c1-4-17-39-24-11-10-21(40(37,38)34-15-13-33(6-3)14-16-34)18-22(24)27-30-25-23(5-2)35(32-26(25)28(36)31-27)19-20-9-7-8-12-29-20/h7-12,18H,4-6,13-17,19H2,1-3H3,(H,30,31,36)

HIDE SMILES / InChI

Molecular Formula C28H35N7O4S
Molecular Weight 565.687
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:42:44 GMT 2023
Edited
by admin
on Sat Dec 16 09:42:44 GMT 2023
Record UNII
3ES85MM31Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-ETHYL-5-(5-((4-ETHYLPIPERAZIN-1-YL)SULFONYL)-2-PROPOXYPHENYL)-2-(PYRIDIN-2-YLMETHYL)-2,6-DIHYDRO-7H-PYRAZOLO(4,3-D)PYRIMIDIN-7-ONE
Systematic Name English
UK-343664
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID1047289
Created by admin on Sat Dec 16 09:42:44 GMT 2023 , Edited by admin on Sat Dec 16 09:42:44 GMT 2023
PRIMARY
PUBCHEM
135430996
Created by admin on Sat Dec 16 09:42:44 GMT 2023 , Edited by admin on Sat Dec 16 09:42:44 GMT 2023
PRIMARY
CAS
215297-27-1
Created by admin on Sat Dec 16 09:42:44 GMT 2023 , Edited by admin on Sat Dec 16 09:42:44 GMT 2023
PRIMARY
FDA UNII
3ES85MM31Y
Created by admin on Sat Dec 16 09:42:44 GMT 2023 , Edited by admin on Sat Dec 16 09:42:44 GMT 2023
PRIMARY