(S)-2-(8-FLUORO-3-(2-METHOXY-5-(TRIFLUOROMETHYL)PHENYL)-2-(PIPERAZIN-1-YL)-3,4-DIHYDROQUINAZOLIN-4-YL)ACETIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H22F4N4O3
Molecular Weight	466.4287
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (S)-2-(8-FLUORO-3-(2-METHOXY-5-(TRIFLUOROMETHYL)PHENYL)-2-(PIPERAZIN-1-YL)-3,4-DIHYDROQUINAZOLIN-4-YL)ACETIC ACID

Structure Search

SMILES

COC1=CC=C(C=C1N2[C@@H](CC(O)=O)C3=C(N=C2N4CCNCC4)C(F)=CC=C3)C(F)(F)F

InChI

InChIKey=VGEUYEUHLFEMQV-INIZCTEOSA-N

InChI=1S/C22H22F4N4O3/c1-33-18-6-5-13(22(24,25)26)11-17(18)30-16(12-19(31)32)14-3-2-4-15(23)20(14)28-21(30)29-9-7-27-8-10-29/h2-6,11,16,27H,7-10,12H2,1H3,(H,31,32)/t16-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H22F4N4O3
Molecular Weight	466.4287
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:51:30 GMT 2023` Edited by `admin` on `Sat Dec 16 14:51:30 GMT 2023`
Record UNII	AG1TAA1GUF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(S)-2-(8-FLUORO-3-(2-METHOXY-5-(TRIFLUOROMETHYL)PHENYL)-2-(PIPERAZIN-1-YL)-3,4-DIHYDROQUINAZOLIN-4-YL)ACETIC ACID

Systematic Name

English

LETERMOVIR METABOLITE M11

Common Name

English

Code System Code Type Description

FDA UNII

AG1TAA1GUF

Created by admin on Sat Dec 16 14:51:30 GMT 2023 , Edited by admin on Sat Dec 16 14:51:30 GMT 2023

PRIMARY

PUBCHEM

134687256

Created by admin on Sat Dec 16 14:51:30 GMT 2023 , Edited by admin on Sat Dec 16 14:51:30 GMT 2023

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					1H09Y5WO1F

LETERMOVIR

PARENT -> METABOLITE

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