3-propyl-6-(1,2,4-triazol-4-yl)-7H-purin-2-one

Systemtic Name: 3-propyl-6-(1,2,4-triazol-4-yl)-7H-purin-2-one Openeye Name: 3-propyl-6-(1,2,4-triazol-4-yl)-7H-purin-2-one CAS Name: 3-propyl-6-(1,2,4-triazol-4-yl)-7H-purin-2-one IUPAC Name: 3-propyl-6-(1,2,4-triazol-4-yl)-7H-purin-2-one Traditional Name: 3-propyl-6-(1,2,4-triazol-4-yl)-7H-purin-2-one Formula: C10H11N7O MolecularWeight: 245.24064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC1=O)N3C=NN=C3)NC=N2

Isomeric SMILES

CCCN1C2=C(C(=NC1=O)N3C=NN=C3)NC=N2

InChI

InChI=1S/C10H11N7O/c1-2-3-17-8-7(11-4-12-8)9(15-10(17)18)16-5-13-14-6-16/h4-6H,2-3H2,1H3,(H,11,12)