1,3-Dimethylguanine; 7H-form, 7-N-Me 

AlkaPlorer ID: AK020370

Synonym: 1,2,3,7-Tetrahydro-2-imino-1,3,7-trimethyl-6H-purin-6-one, 1,3,7-Trimethylguanine 

IUPAC Name: 2-imino-1,3,7-trimethylpurin-6-one

Structure

SMILES: CN1C(=O)C2=C(N=CN2C)N(C)C1=N

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InChI: InChI=1S/C8H11N5O/c1-11-4-10-6-5(11)7(14)13(3)8(9)12(6)2/h4,9H,1-3H3

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InChIKey: ZEVFIFMKLBYWMH-UHFFFAOYSA-N

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Reference

PubChem CID: 184152

CAS: 110025-83-7

SuperNatural Ⅲ: SN0468491

COCONUT: CNP0421058

Properties Information

Molecule Weight: 193.21

TPSA: 68.6

MolLogP: -0.91003

Number of H-Donors: 1

Number of H-Acceptors: 6

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Mus musculus P388 EC50 10.0 ug.mL-1 10.1021/np50050a044

Metabolism Information