LJ-2698

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H15Cl2N5O2S
Molecular Weight	412.294
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O[C@@H]1CS[C@H]([C@@H]1O)N2C=NC3=C(NCC4=CC=CC(Cl)=C4)N=C(Cl)N=C23

InChI

InChIKey=JQUBXCDDRXAMLF-IXPVHAAZSA-N

InChI=1S/C16H15Cl2N5O2S/c17-9-3-1-2-8(4-9)5-19-13-11-14(22-16(18)21-13)23(7-20-11)15-12(25)10(24)6-26-15/h1-4,7,10,12,15,24-25H,5-6H2,(H,19,21,22)/t10-,12-,15-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C16H15Cl2N5O2S
Molecular Weight	412.294
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:19:49 UTC 2023` Edited by `admin` on `Sat Dec 16 18:19:49 UTC 2023`
Record UNII	L4A6E7Q76T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LJ-2698

Code

English

3,4-THIOPHENEDIOL, 2-(2-CHLORO-6-(((3-CHLOROPHENYL)METHYL)AMINO)-9H-PURIN-9-YL)TETRAHYDRO-, (2R,3R,4S)-

Systematic Name

English

(2R,3R,4S)-2-(2-CHLORO-6-(3-CHLOROBENZYLAMINO)-9H-PURIN-9-YL)TETRAHYDROTHIOPHENE-3,4-DIOL

Systematic Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

796620