2-Amino-9-[3-(benzoyloxy)propoxy]-1,9-dihydro-6H-purin-6-one

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H15N5O4
Molecular Weight	329.3107
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-Amino-9-[3-(benzoyloxy)propoxy]-1,9-dihydro-6H-purin-6-one

Structure Search

SMILES

NC1=NC(=O)C2=C(N1)N(OCCCOC(=O)C3=CC=CC=C3)C=N2

InChI

InChIKey=LLPXGUZTXARLAT-UHFFFAOYSA-N

InChI=1S/C15H15N5O4/c16-15-18-12-11(13(21)19-15)17-9-20(12)24-8-4-7-23-14(22)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H3,16,18,19,21)

HIDE SMILES / InChI

Molecular Formula	C15H15N5O4
Molecular Weight	329.3107
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 `Mon Mar 31 23:23:04 GMT 2025` Edited by `admin` on `Mon Mar 31 23:23:04 GMT 2025`
Record UNII	PYQ9CG5BC6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-Amino-9-[3-(benzoyloxy)propoxy]-1,9-dihydro-6H-purin-6-one

Systematic Name

English

6H-Purin-6-one, 2-amino-9-[3-(benzoyloxy)propoxy]-1,9-dihydro-

Preferred Name

English

Code System Code Type Description

FDA UNII

PYQ9CG5BC6

Created by admin on Mon Mar 31 23:23:04 GMT 2025 , Edited by admin on Mon Mar 31 23:23:04 GMT 2025

PRIMARY

EPA CompTox

DTXSID50921493

Created by admin on Mon Mar 31 23:23:04 GMT 2025 , Edited by admin on Mon Mar 31 23:23:04 GMT 2025

PRIMARY

CAS

114778-62-0

Created by admin on Mon Mar 31 23:23:04 GMT 2025 , Edited by admin on Mon Mar 31 23:23:04 GMT 2025

PRIMARY

PUBCHEM

135435095

Created by admin on Mon Mar 31 23:23:04 GMT 2025 , Edited by admin on Mon Mar 31 23:23:04 GMT 2025

PRIMARY

PUBCHEM

6320054

Created by admin on Mon Mar 31 23:23:04 GMT 2025 , Edited by admin on Mon Mar 31 23:23:04 GMT 2025

ALTERNATIVE