8-(1-phenyl-5-propyl-pyrazol-4-yl)-1,3-dipropyl-7H-purine-2,6-dione

Systemtic Name: 8-(1-phenyl-5-propyl-pyrazol-4-yl)-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-(1-phenyl-5-propyl-pyrazol-4-yl)-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-(1-phenyl-5-propyl-4-pyrazolyl)-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-(1-phenyl-5-propylpyrazol-4-yl)-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-(1-phenyl-5-propyl-pyrazol-4-yl)-1,3-dipropyl-7H-purine-2,6-quinone Formula: C23H28N6O2 MolecularWeight: 420.50742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN1C2=CC=CC=C2)C3=NC4=C(N3)C(=O)N(C(=O)N4CCC)CCC

Isomeric SMILES

CCCC1=C(C=NN1C2=CC=CC=C2)C3=NC4=C(N3)C(=O)N(C(=O)N4CCC)CCC

InChI

InChI=1S/C23H28N6O2/c1-4-10-18-17(15-24-29(18)16-11-8-7-9-12-16)20-25-19-21(26-20)27(13-5-2)23(31)28(14-6-3)22(19)30/h7-9,11-12,15H,4-6,10,13-14H2,1-3H3,(H,25,26)