THIADRINE ACEFYLLINATE

Details

Stereochemistry	MIXED
Molecular Formula	C11H14N2S.C9H10N4O4
Molecular Weight	444.507
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1C(SC(=N)N1C)C2=CC=CC=C2.CN3C4=C(N(CC(O)=O)C=N4)C(=O)N(C)C3=O

InChI

InChIKey=BKWSJDFLCCQAGZ-UHFFFAOYSA-N

InChI=1S/C11H14N2S.C9H10N4O4/c1-8-10(14-11(12)13(8)2)9-6-4-3-5-7-9;1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h3-8,10,12H,1-2H3;4H,3H2,1-2H3,(H,14,15)

HIDE SMILES / InChI

Molecular Formula	C9H10N4O4
Molecular Weight	238.2001
Charge	0
Count

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

Molecular Formula	C11H14N2S
Molecular Weight	206.307
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:08:27 GMT 2025` Edited by `admin` on `Mon Mar 31 23:08:27 GMT 2025`
Record UNII	VJV13539MG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

THIADRINE ACEFYLLINATE

Common Name

English

THIADRINE THEOPHYLLINEACETATE

Preferred Name

English

Thiadrine acefyllinate [WHO-DD]

Common Name

English

7H-PURINE-7-ACETIC ACID, 1,2,3,6-TETRAHYDRO-1,3-DIMETHYL-2,6-DIOXO-, COMPD. WITH 3,4-DIMETHYL-5-PHENYL-2-THIAZOLIDINIMINE (1:1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

20846342