3MA

6-AMINO-3-METHYLPURINE

Created:	1999-10-08
Last modified:	2011-06-04

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2 entries where 3MA is found as a standalone ligand

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Chemical Details
Formal Charge	1
Atom Count	19
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	10

2D diagram of 3MA

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Chemical Component Summary
Name	6-AMINO-3-METHYLPURINE
Systematic Name (OpenEye OEToolkits)	3-methyl-9H-purin-3-ium-6-amine
Formula	C₆ H₈ N₅
Molecular Weight	150.161
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n2c[n+](c1c(ncn1)c2N)C
SMILES	CACTVS	3.341	C[n+]1cnc(N)c2nc[nH]c12
SMILES	OpenEye OEToolkits	1.5.0	C[n+]1cnc(c2c1[nH]cn2)N
Canonical SMILES	CACTVS	3.341	C[n+]1cnc(N)c2nc[nH]c12
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[n+]1cnc(c2c1[nH]cn2)N
InChI	InChI	1.03	InChI=1S/C6H7N5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2-3H,1H3,(H2,7,8,9)/p+1
InChIKey	InChI	1.03	YLIQVEPMZVVUEK-UHFFFAOYSA-O

Related Resource References

Resource Name	Reference
PubChem	447782
CCDC/CSD	FITTIL, HICVEU

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