1,3-dibutyl-8-(1H-pyrazol-4-yl)-7H-purine-2,6-dione

Systemtic Name: 1,3-dibutyl-8-(1H-pyrazol-4-yl)-7H-purine-2,6-dione Openeye Name: 1,3-dibutyl-8-(1H-pyrazol-4-yl)-7H-purine-2,6-dione CAS Name: 1,3-dibutyl-8-(1H-pyrazol-4-yl)-7H-purine-2,6-dione IUPAC Name: 1,3-dibutyl-8-(1H-pyrazol-4-yl)-7H-purine-2,6-dione Traditional Name: 1,3-dibutyl-8-(1H-pyrazol-4-yl)-7H-purine-2,6-quinone Formula: C16H22N6O2 MolecularWeight: 330.38488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CCCC)NC(=N2)C3=CNN=C3

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCCC)NC(=N2)C3=CNN=C3

InChI

InChI=1S/C16H22N6O2/c1-3-5-7-21-14-12(15(23)22(16(21)24)8-6-4-2)19-13(20-14)11-9-17-18-10-11/h9-10H,3-8H2,1-2H3,(H,17,18)(H,19,20)