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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H24N6O2
Molecular Weight 368.4329
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ROSCOVITINE CARBOXYLIC ACID

SMILES

CC[C@@H](NC1=NC2=C(N=CN2C(C)C)C(NCC3=CC=CC=C3)=N1)C(O)=O

InChI

InChIKey=MZLAEKOAINERGI-CQSZACIVSA-N
InChI=1S/C19H24N6O2/c1-4-14(18(26)27)22-19-23-16(20-10-13-8-6-5-7-9-13)15-17(24-19)25(11-21-15)12(2)3/h5-9,11-12,14H,4,10H2,1-3H3,(H,26,27)(H2,20,22,23,24)/t14-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ROSCOVITINE CARBOXYLIC ACID
Common Name English
(2R)-2-((9-(1-METHYLETHYL)-6-((PHENYLMETHYL)AMINO)-9H-PURIN-2-YL)AMINO)BUTANOIC ACID
Systematic Name English
BUTANOIC ACID, 2-((9-(1-METHYLETHYL)-6-((PHENYLMETHYL)AMINO)-9H-PURIN-2-YL)AMINO)-, (2R)-
Systematic Name English
Code System Code Type Description
CAS
482615-12-3
Created by admin on Sat Dec 16 16:32:35 GMT 2023 , Edited by admin on Sat Dec 16 16:32:35 GMT 2023
PRIMARY
PUBCHEM
3013831
Created by admin on Sat Dec 16 16:32:35 GMT 2023 , Edited by admin on Sat Dec 16 16:32:35 GMT 2023
PRIMARY
FDA UNII
U78UW8Q3QQ
Created by admin on Sat Dec 16 16:32:35 GMT 2023 , Edited by admin on Sat Dec 16 16:32:35 GMT 2023
PRIMARY