3-octan-4-yl-8-[1-(phenylmethyl)pyrazol-4-yl]-7H-purine-2,6-dione

Systemtic Name: 3-octan-4-yl-8-[1-(phenylmethyl)pyrazol-4-yl]-7H-purine-2,6-dione Openeye Name: 8-(1-benzylpyrazol-4-yl)-3-(1-propylpentyl)-7H-purine-2,6-dione CAS Name: 3-octan-4-yl-8-[1-(phenylmethyl)-4-pyrazolyl]-7H-purine-2,6-dione IUPAC Name: 8-(1-benzylpyrazol-4-yl)-3-octan-4-yl-7H-purine-2,6-dione Traditional Name: 8-(1-benzylpyrazol-4-yl)-3-(1-propylpentyl)-7H-purine-2,6-quinone Formula: C23H28N6O2 MolecularWeight: 420.50742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC)N1C2=C(C(=O)NC1=O)NC(=N2)C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

CCCCC(CCC)N1C2=C(C(=O)NC1=O)NC(=N2)C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H28N6O2/c1-3-5-12-18(9-4-2)29-21-19(22(30)27-23(29)31)25-20(26-21)17-13-24-28(15-17)14-16-10-7-6-8-11-16/h6-8,10-11,13,15,18H,3-5,9,12,14H2,1-2H3,(H,25,26)(H,27,30,31)