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Details

Stereochemistry ACHIRAL
Molecular Formula C10H13N5O3
Molecular Weight 251.2419
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9-(4-HYDROXY-3-HYDROXYMETHYL-2-BUTENYL)GUANINE

SMILES

NC1=NC2=C(N=CN2CC=C(CO)CO)C(=O)N1

InChI

InChIKey=XXQDQFMZLCTDTI-UHFFFAOYSA-N
InChI=1S/C10H13N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17/h1,5,16-17H,2-4H2,(H3,11,13,14,18)

HIDE SMILES / InChI

Molecular Formula C10H13N5O3
Molecular Weight 251.2419
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:12:01 GMT 2023
Edited
by admin
on Sat Dec 16 16:12:01 GMT 2023
Record UNII
CTL73J8MO1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
9-(4-HYDROXY-3-HYDROXYMETHYL-2-BUTENYL)GUANINE
Systematic Name English
6H-PURIN-6-ONE, 2-AMINO-1,9-DIHYDRO-9-(4-HYDROXY-3-(HYDROXYMETHYL)-2-BUTEN-1-YL)-
Systematic Name English
6H-PURIN-6-ONE, 2-AMINO-1,9-DIHYDRO-9-(4-HYDROXY-3-(HYDROXYMETHYL)-2-BUTENYL)-
Systematic Name English
NSC-608700
Code English
2-AMINO-1,9-DIHYDRO-9-(4-HYDROXY-3-(HYDROXYMETHYL)-2-BUTEN-1-YL)-6H-PURIN-6-ONE
Systematic Name English
2-AMINO-9-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-2-ENYL)-3H-PURIN-6-ONE
Systematic Name English
Code System Code Type Description
FDA UNII
CTL73J8MO1
Created by admin on Sat Dec 16 16:12:01 GMT 2023 , Edited by admin on Sat Dec 16 16:12:01 GMT 2023
PRIMARY
PUBCHEM
135425312
Created by admin on Sat Dec 16 16:12:01 GMT 2023 , Edited by admin on Sat Dec 16 16:12:01 GMT 2023
PRIMARY
EPA CompTox
DTXSID00244240
Created by admin on Sat Dec 16 16:12:01 GMT 2023 , Edited by admin on Sat Dec 16 16:12:01 GMT 2023
PRIMARY
CAS
99776-28-0
Created by admin on Sat Dec 16 16:12:01 GMT 2023 , Edited by admin on Sat Dec 16 16:12:01 GMT 2023
PRIMARY
NSC
608700
Created by admin on Sat Dec 16 16:12:01 GMT 2023 , Edited by admin on Sat Dec 16 16:12:01 GMT 2023
PRIMARY