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

Systemtic Name: 1-(phenylmethyl)-8-[1-(phenylmethyl)pyrazol-4-yl]-3,7-dihydropurine-2,6-dione Openeye Name: 1-benzyl-8-(1-benzylpyrazol-4-yl)-3,7-dihydropurine-2,6-dione CAS Name: 1-(phenylmethyl)-8-[1-(phenylmethyl)-4-pyrazolyl]-3,7-dihydropurine-2,6-dione IUPAC Name: 1-benzyl-8-(1-benzylpyrazol-4-yl)-3,7-dihydropurine-2,6-dione Traditional Name: 1-benzyl-8-(1-benzylpyrazol-4-yl)-7H-xanthine Formula: C22H18N6O2 MolecularWeight: 398.41732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=N2)C3=NC4=C(N3)C(=O)N(C(=O)N4)CC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)C3=NC4=C(N3)C(=O)N(C(=O)N4)CC5=CC=CC=C5

InChI

InChI=1S/C22H18N6O2/c29-21-18-20(26-22(30)28(21)13-16-9-5-2-6-10-16)25-19(24-18)17-11-23-27(14-17)12-15-7-3-1-4-8-15/h1-11,14H,12-13H2,(H,24,25)(H,26,30)