8-(1,2,4-triazol-1-yl)-3,7-dihydropurin-6-one

Systemtic Name: 8-(1,2,4-triazol-1-yl)-3,7-dihydropurin-6-one Openeye Name: 8-(1,2,4-triazol-1-yl)-3,7-dihydropurin-6-one CAS Name: 8-(1,2,4-triazol-1-yl)-3,7-dihydropurin-6-one IUPAC Name: 8-(1,2,4-triazol-1-yl)-3,7-dihydropurin-6-one Traditional Name: 8-(1,2,4-triazol-1-yl)-3,7-dihydropurin-6-one Formula: C7H5N7O MolecularWeight: 203.1609

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=O)C2=C(N1)N=C(N2)N3C=NC=N3

Isomeric SMILES

C1=NC(=O)C2=C(N1)N=C(N2)N3C=NC=N3

InChI

InChI=1S/C7H5N7O/c15-6-4-5(9-2-10-6)13-7(12-4)14-3-8-1-11-14/h1-3H,(H2,9,10,12,13,15)