U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C19H21N7O4
Molecular Weight 411.4145
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-AMINO-N-(8-(3-HYDROXYPROPOXY)-7-METHOXY-2,3-DIHYDROIMIDAZO(1,2-C)QUINAZOLIN-5-YL)PYRIMIDINE-5-CARBOXAMIDE

SMILES

COC1=C2N=C(NC(=O)C3=CN=C(N)N=C3)N4CCN=C4C2=CC=C1OCCCO

InChI

InChIKey=OTSALZZMTLGFLO-UHFFFAOYSA-N
InChI=1S/C19H21N7O4/c1-29-15-13(30-8-2-7-27)4-3-12-14(15)24-19(26-6-5-21-16(12)26)25-17(28)11-9-22-18(20)23-10-11/h3-4,9-10,27H,2,5-8H2,1H3,(H2,20,22,23)(H,24,25,28)

HIDE SMILES / InChI

Molecular Formula C19H21N7O4
Molecular Weight 411.4145
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:00:15 UTC 2023
Edited
by admin
on Sat Dec 16 15:00:15 UTC 2023
Record UNII
GC91Z6YS52
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-AMINO-N-(8-(3-HYDROXYPROPOXY)-7-METHOXY-2,3-DIHYDROIMIDAZO(1,2-C)QUINAZOLIN-5-YL)PYRIMIDINE-5-CARBOXAMIDE
Systematic Name English
COPANLISIB METABOLITE M15
Common Name English
Code System Code Type Description
FDA UNII
GC91Z6YS52
Created by admin on Sat Dec 16 15:00:15 UTC 2023 , Edited by admin on Sat Dec 16 15:00:15 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE