CAPADENOSON

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H18ClN5O2S2
Molecular Weight	520.026
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NC1=NC(SCC2=CSC(=N2)C3=CC=C(Cl)C=C3)=C(C#N)C(C4=CC=C(OCCO)C=C4)=C1C#N

InChI

InChIKey=CITWCLNVRIKQAF-UHFFFAOYSA-N

InChI=1S/C25H18ClN5O2S2/c26-17-5-1-16(2-6-17)24-30-18(13-34-24)14-35-25-21(12-28)22(20(11-27)23(29)31-25)15-3-7-19(8-4-15)33-10-9-32/h1-8,13,32H,9-10,14H2,(H2,29,31)

HIDE SMILES / InChI

Molecular Formula	C25H18ClN5O2S2
Molecular Weight	520.026
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 `Fri Dec 15 17:15:42 UTC 2023` Edited by `admin` on `Fri Dec 15 17:15:42 UTC 2023`
Record UNII	O519NVW73R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CAPADENOSON

Official Name

English

BAY-68-4986

Code

English

2-AMINO-6-(((2-(4-CHLOROPHENYL)-1,3-THIAZOL-4-YL)METHYL)SULFANYL)-4-(4-(2-HYDROXYETHOXY)PHENYL)PYRIDINE-3,5-DICARBONITRILE

Systematic Name

English

capadenoson [INN]

Common Name

English

BAY 68-4986

Code

English

Capadenoson [WHO-DD]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29707