CHEBI:27564 - 2-amino-3-methyl-3,7-dihydro-6H-purin-6-one

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ChEBI Name 2-amino-3-methyl-3,7-dihydro-6H-purin-6-one
ChEBI ID CHEBI:27564
ChEBI ASCII Name 2-amino-3-methyl-3,7-dihydro-6H-purin-6-one
Definition A 3-methylguanine that is 3,7-dihydro-6H-purin-6-one substituted by an amino group at position 2 and a methyl group at position 3.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:20133
Supplier Information
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Formula C6H7N5O
Net Charge 0
Average Mass 165.15288
Monoisotopic Mass 165.065
InChI InChI=1S/C6H7N5O/c1-11-4-3(8-2-9-4)5(12)10-6(11)7/h2H,1H3,(H,8,9)(H2,7,10,12)
InChIKey XHBSBNYEHDQRCP-UHFFFAOYSA-N
SMILES Cn1c(N)nc(=O)c2[nH]cnc12
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via 3-methylguanine )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2-amino-3-methyl-3,7-dihydro-6H-purin-6-one (CHEBI:27564) is a 3-methylguanine (CHEBI:1604)
2-amino-3-methyl-3,7-dihydro-6H-purin-6-one (CHEBI:27564) is tautomer of 2-amino-3-methyl-3,9-dihydro-6H-purin-6-one (CHEBI:46892)
2-amino-3-methyl-3,7-dihydro-6H-purin-6-one (CHEBI:27564) is tautomer of 2-imino-3-methyl-1,2,3,9-tetrahydro-6H-purin-6-one (CHEBI:46893)
Incoming 2-amino-3-methyl-3,9-dihydro-6H-purin-6-one (CHEBI:46892) is tautomer of 2-amino-3-methyl-3,7-dihydro-6H-purin-6-one (CHEBI:27564)
2-imino-3-methyl-1,2,3,9-tetrahydro-6H-purin-6-one (CHEBI:46893) is tautomer of 2-amino-3-methyl-3,7-dihydro-6H-purin-6-one (CHEBI:27564)
IUPAC Name
2-amino-3-methyl-3,7-dihydro-6H-purin-6-one
Synonym Source
N3-methylguanine ChemIDplus
Registry Numbers Types Sources
2958-98-7 CAS Registry Number ChemIDplus
981316 Beilstein Registry Number Beilstein
981316 Reaxys Registry Number Reaxys
Last Modified
28 August 2014