methyl 2-(2-azanyl-6-oxidanylidene-3,7-dihydropurin-8-yl)ethanoate

Systemtic Name: methyl 2-(2-azanyl-6-oxidanylidene-3,7-dihydropurin-8-yl)ethanoate Openeye Name: methyl 2-(2-amino-6-oxo-3,7-dihydropurin-8-yl)acetate CAS Name: 2-(2-amino-6-oxo-3,7-dihydropurin-8-yl)acetic acid methyl ester IUPAC Name: methyl 2-(2-amino-6-oxo-3,7-dihydropurin-8-yl)acetate Traditional Name: 2-(2-amino-6-keto-3,7-dihydropurin-8-yl)acetic acid methyl ester Formula: C8H9N5O3 MolecularWeight: 223.18876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=NC2=C(N1)C(=O)N=C(N2)N

Isomeric SMILES

COC(=O)CC1=NC2=C(N1)C(=O)N=C(N2)N

InChI

InChI=1S/C8H9N5O3/c1-16-4(14)2-3-10-5-6(11-3)12-8(9)13-7(5)15/h2H2,1H3,(H4,9,10,11,12,13,15)