ISOXANTHOPTERIN

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H5N5O2
Molecular Weight	179.1362
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NC1=NC2=C(N=CC(=O)N2)C(=O)N1

InChI

InChIKey=GLKCOBIIZKYKFN-UHFFFAOYSA-N

InChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)8-1-2(12)9-4/h1H,(H4,7,9,10,11,12,13)

HIDE SMILES / InChI

Molecular Formula	C6H5N5O2
Molecular Weight	179.1362
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
MCF7 22 Target ID: CHEMBL387 Sources: https://www.ncbi.nlm.nih.gov/pubmed/15837549	Inhibitor 8504		103.0 µM [IC50]

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:51:30 GMT 2025` Edited by `admin` on `Mon Mar 31 18:51:30 GMT 2025`
Record UNII	XR11PF6TYR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RANACHROME 4

Preferred Name

English

ISOXANTHOPTERIN

Common Name

English

2-AMINOPTERIDINE-4,7-DIOL

Systematic Name

English

NSC-614991

Code

English

2-AMINO-4,7-DIHYDROXYPTERIDINE

Systematic Name

English

4,7(3H,8H)-PTERIDINEDIONE, 2-AMINO-

Systematic Name

English

NSC-118090

Code

English

2-AMINO-4,7(1H,8H)-PTERIDINEDIONE

Systematic Name

English

2-AMINO-4,7(3H,8H)-PTERIDINEDIONE

Systematic Name

English

4,7(1H,8H)-PTERIDINEDIONE, 2-AMINO-

Systematic Name

English

Classification Tree Code System Code

LOINC

79316-6