2-[4-(Methoxycarbonyl)-1H-pyrazol-1-yl]adenosine

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C15H17N7O6
Molecular Weight	391.3388
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-[4-(Methoxycarbonyl)-1H-pyrazol-1-yl]adenosine

Structure Search

SMILES

COC(=O)C1=CN(N=C1)C2=NC(N)=C3N=CN([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)C3=N2

InChI

InChIKey=ADMYVFYYALQDPK-QYVSTXNMSA-N

InChI=1S/C15H17N7O6/c1-27-14(26)6-2-18-22(3-6)15-19-11(16)8-12(20-15)21(5-17-8)13-10(25)9(24)7(4-23)28-13/h2-3,5,7,9-10,13,23-25H,4H2,1H3,(H2,16,19,20)/t7-,9-,10-,13-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C15H17N7O6
Molecular Weight	391.3388
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:31:12 GMT 2023` Edited by `admin` on `Sat Dec 16 19:31:12 GMT 2023`
Record UNII	CJ6K5C4JMB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-[4-(Methoxycarbonyl)-1H-pyrazol-1-yl]adenosine

Common Name

English

Methyl 1-(6-amino-9-β-D-ribofuranosyl-9H-purin-2-yl)-1H-pyrazole-4-carboxylate

Systematic Name

English

1H-Pyrazole-4-carboxylic acid, 1-(6-amino-9-β-D-ribofuranosyl-9H-purin-2-yl)-, methyl ester

Systematic Name

English

Code System Code Type Description

FDA UNII

CJ6K5C4JMB

Created by admin on Sat Dec 16 19:31:12 GMT 2023 , Edited by admin on Sat Dec 16 19:31:12 GMT 2023

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PUBCHEM

71270364

Created by admin on Sat Dec 16 19:31:12 GMT 2023 , Edited by admin on Sat Dec 16 19:31:12 GMT 2023

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CAS

1423073-21-5

Created by admin on Sat Dec 16 19:31:12 GMT 2023 , Edited by admin on Sat Dec 16 19:31:12 GMT 2023

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