NITD-449

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C14H15N5O5
Molecular Weight	333.2994
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NC(=O)C1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@]2(O)C#C)C3=C1C(N)=NC=N3

InChI

InChIKey=HRAYXWGUYHJDEA-MVNCPAOLSA-N

InChI=1S/C14H15N5O5/c1-2-14(23)9(21)7(4-20)24-13(14)19-3-6(11(16)22)8-10(15)17-5-18-12(8)19/h1,3,5,7,9,13,20-21,23H,4H2,(H2,16,22)(H2,15,17,18)/t7-,9-,13-,14-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C14H15N5O5
Molecular Weight	333.2994
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 05:14:38 UTC 2023` Edited by `admin` on `Sat Dec 16 05:14:38 UTC 2023`
Record UNII	14279TVB5R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NITD-449

Common Name

English

7H-PYRROLO(2,3-D)PYRIMIDINE-5-CARBOXAMIDE, 4-AMINO-7-(2-C-ETHYNYL-.BETA.-D-RIBOFURANOSYL)-

Common Name

English

2'-C-ACETYLENE-7-DEAZA-7-CARBAMOYLADENOSINE

Common Name

English

Code System Code Type Description

CAS

1207518-62-4

Created by admin on Sat Dec 16 05:14:38 UTC 2023 , Edited by admin on Sat Dec 16 05:14:38 UTC 2023

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PUBCHEM

45107818

Created by admin on Sat Dec 16 05:14:38 UTC 2023 , Edited by admin on Sat Dec 16 05:14:38 UTC 2023

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FDA UNII

14279TVB5R

Created by admin on Sat Dec 16 05:14:38 UTC 2023 , Edited by admin on Sat Dec 16 05:14:38 UTC 2023

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EPA CompTox

DTXSID20152999

Created by admin on Sat Dec 16 05:14:38 UTC 2023 , Edited by admin on Sat Dec 16 05:14:38 UTC 2023

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