8-(aminomethyl)-3,7-dihydropurine-2,6-dione

Systemtic Name: 8-(aminomethyl)-3,7-dihydropurine-2,6-dione Openeye Name: 8-(aminomethyl)-3,7-dihydropurine-2,6-dione CAS Name: 8-(aminomethyl)-3,7-dihydropurine-2,6-dione IUPAC Name: 8-(aminomethyl)-3,7-dihydropurine-2,6-dione Traditional Name: 8-(aminomethyl)-7H-xanthine Formula: C6H7N5O2 MolecularWeight: 181.15208

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Descriptors Computed from Structure

Canonical SMILES:

C(C1=NC2=C(N1)C(=O)NC(=O)N2)N

Isomeric SMILES

C(C1=NC2=C(N1)C(=O)NC(=O)N2)N

InChI

InChI=1S/C6H7N5O2/c7-1-2-8-3-4(9-2)10-6(13)11-5(3)12/h1,7H2,(H3,8,9,10,11,12,13)