1-[(4-amino-2-methylpyrimidin-5-yl)methyl]pyridinium (Q27108881)

Heteropyrithiamine (English)

5 October 2016

chemical formula

C₁₁H₁₃N₄⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1=NC=C(C(=N1)N)C[N+]2=CC=CC=C2

1 reference

Heteropyrithiamine (English)

InChI=1S/C11H13N4/c1-9-13-7-10(11(12)14-9)8-15-5-3-2-4-6-15/h2-7H,8H2,1H3,(H2,12,13,14)/q+1

5 October 2016

Identifiers

InChI

1 reference

Heteropyrithiamine (English)

SPQICHFDXHERAC-UHFFFAOYSA-N

5 October 2016

InChIKey

2 references

Heteropyrithiamine (English)

CAS (formerly Chemical Abstracts Service)

5 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

54997-93-2

1 reference

stated in

25 January 2022

1 reference

1-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]pyridinium (English)

5 October 2016

2 references

Heteropyrithiamine (English)

matched by identifier from

5 October 2016

InChIKey

SPQICHFDXHERAC-UHFFFAOYSA-N

ChEBI ID

11222

mapping relation type

2 references

1-[(4-amino-2-methylpyrimidin-5-yl)methyl]pyridinium (English)

matched by identifier from

5 October 2016

International Chemical Identifier

InChI

InChI=1S/C11H13N4/c1-9-13-7-10(11(12)14-9)8-15-5-3-2-4-6-15/h2-7H,8H2,1H3,(H2,12,13,14)/q+1

1 reference

1 reference

matched by identifier from

InChIKey

SPQICHFDXHERAC-UHFFFAOYSA-N

1 reference

1-[(4-amino-2-methylpyrimidin-5-yl)methyl]pyridinium (English)