4',4''-BIS(1,4,5,6-TETRAHYDRO-2-PYRIMIDINYL)TEREPHTHALANILIDE DIHYDROCHLORIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C28H28N6O2.2ClH
Molecular Weight	553.483
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4',4''-BIS(1,4,5,6-TETRAHYDRO-2-PYRIMIDINYL)TEREPHTHALANILIDE DIHYDROCHLORIDE

Structure Search

SMILES

Cl.Cl.O=C(NC1=CC=C(C=C1)C2=NCCCN2)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C5=NCCCN5

InChI

InChIKey=YJKHWWLMQNQVAG-UHFFFAOYSA-N

InChI=1S/C28H28N6O2.2ClH/c35-27(33-23-11-7-19(8-12-23)25-29-15-1-16-30-25)21-3-5-22(6-4-21)28(36)34-24-13-9-20(10-14-24)26-31-17-2-18-32-26;;/h3-14H,1-2,15-18H2,(H,29,30)(H,31,32)(H,33,35)(H,34,36);2*1H

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

Molecular Formula	C28H28N6O2
Molecular Weight	480.5609
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 17:36:19 GMT 2025` Edited by `admin` on `Mon Mar 31 17:36:19 GMT 2025`
Record UNII	NSH4GY380P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-57153

Preferred Name

English

4',4''-BIS(1,4,5,6-TETRAHYDRO-2-PYRIMIDINYL)TEREPHTHALANILIDE DIHYDROCHLORIDE

Common Name

English

1,4-BENZENEDICARBOXAMIDE, N,N'-BIS(4-(1,4,5,6-TETRAHYDRO-2-PYRIMIDINYL)PHENYL)-, DIHYDROCHLORIDE

Common Name

English

PHTHALANILIDE 6

Common Name

English

TEREPHTHALANILIDE, 4',4''-BIS(1,4,5,6-TETRAHYDRO-2-PYRIMIDINYL)-, DIHYDROCHLORIDE

Common Name

English

1,4-BENZENEDICARBOXAMIDE, N1,N4-BIS(4-(1,4,5,6-TETRAHYDRO-2-PYRIMIDINYL)PHENYL)-, HYDROCHLORIDE (1:2)

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID501018952