4-((5-CARBAMOYL-4-((3-CHLORO-4-METHOXY-PHENYL)METHYLAMINO)PYRIMIDIN-2-YL)AMINO)-5-HYDROXY-PENTANOIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H22ClN5O5
Molecular Weight	423.851
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-((5-CARBAMOYL-4-((3-CHLORO-4-METHOXY-PHENYL)METHYLAMINO)PYRIMIDIN-2-YL)AMINO)-5-HYDROXY-PENTANOIC ACID

Structure Search

SMILES

COC1=CC=C(CNC2=C(C=NC(N[C@H](CO)CCC(O)=O)=N2)C(N)=O)C=C1Cl

InChI

InChIKey=SGLHMHIKJHMKSE-NSHDSACASA-N

InChI=1S/C18H22ClN5O5/c1-29-14-4-2-10(6-13(14)19)7-21-17-12(16(20)28)8-22-18(24-17)23-11(9-25)3-5-15(26)27/h2,4,6,8,11,25H,3,5,7,9H2,1H3,(H2,20,28)(H,26,27)(H2,21,22,23,24)/t11-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C18H22ClN5O5
Molecular Weight	423.851
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 10:07:40 UTC 2023` Edited by `admin` on `Sat Dec 16 10:07:40 UTC 2023`
Record UNII	EF7YX9V2VW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-((5-CARBAMOYL-4-((3-CHLORO-4-METHOXY-PHENYL)METHYLAMINO)PYRIMIDIN-2-YL)AMINO)-5-HYDROXY-PENTANOIC ACID

Systematic Name

English

AVANAFIL METABOLITE M31

Common Name

English

Code System Code Type Description

PUBCHEM

156596595

Created by admin on Sat Dec 16 10:07:40 UTC 2023 , Edited by admin on Sat Dec 16 10:07:40 UTC 2023

PRIMARY

FDA UNII

EF7YX9V2VW

Created by admin on Sat Dec 16 10:07:40 UTC 2023 , Edited by admin on Sat Dec 16 10:07:40 UTC 2023

PRIMARY

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