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Details

Stereochemistry ACHIRAL
Molecular Formula C25H24N7
Molecular Weight 422.505
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of 3-AMINO-8-((2-AMINO-6-METHYL-4-PYRIMIDINYL)AMINO)-6-(4-AMINOPHENYL)-5-METHYLPHENANTHRIDINIUM

SMILES

CC1=CC(NC2=CC3=C(C4=CC=C(N)C=C4)[N+](C)=C5C=C(N)C=CC5=C3C=C2)=NC(N)=N1

InChI

InChIKey=GSVWCDHBGJTQPD-UHFFFAOYSA-O
InChI=1S/C25H23N7/c1-14-11-23(31-25(28)29-14)30-18-8-10-19-20-9-7-17(27)12-22(20)32(2)24(21(19)13-18)15-3-5-16(26)6-4-15/h3-13H,1-2H3,(H6,26,27,28,29,30,31)/p+1

HIDE SMILES / InChI

Molecular Formula C25H23N7
Molecular Weight 421.497
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 Sat Dec 16 12:37:03 GMT 2023
Edited
by admin
on Sat Dec 16 12:37:03 GMT 2023
Record UNII
21ERV4529N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-AMINO-8-((2-AMINO-6-METHYL-4-PYRIMIDINYL)AMINO)-6-(4-AMINOPHENYL)-5-METHYLPHENANTHRIDINIUM
Systematic Name English
3-AMINO-8-((2-AMINO-6-METHYL-4-PYRIMIDINYL)AMINO)-6-(4-AMINOPHENYL)-5-METHYLPHENANTHRIDINIUM ION
Systematic Name English
PHENANTHRIDINIUM, 3-AMINO-8-((2-AMINO-6-METHYL-4-PYRIMIDINYL)AMINO)-6-(4-AMINOPHENYL)-5-METHYL-
Systematic Name English
Code System Code Type Description
CAS
3616-05-5
Created by admin on Sat Dec 16 12:37:03 GMT 2023 , Edited by admin on Sat Dec 16 12:37:03 GMT 2023
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FDA UNII
21ERV4529N
Created by admin on Sat Dec 16 12:37:03 GMT 2023 , Edited by admin on Sat Dec 16 12:37:03 GMT 2023
PRIMARY
EPA CompTox
DTXSID20189725
Created by admin on Sat Dec 16 12:37:03 GMT 2023 , Edited by admin on Sat Dec 16 12:37:03 GMT 2023
PRIMARY
PUBCHEM
165140
Created by admin on Sat Dec 16 12:37:03 GMT 2023 , Edited by admin on Sat Dec 16 12:37:03 GMT 2023
PRIMARY