7-(oxolan-2-ylmethyl)-3-(phenylmethyl)-8-(1-phenylpyrazol-4-yl)purine-2,6-dione

Systemtic Name: 7-(oxolan-2-ylmethyl)-3-(phenylmethyl)-8-(1-phenylpyrazol-4-yl)purine-2,6-dione Openeye Name: 3-benzyl-8-(1-phenylpyrazol-4-yl)-7-(tetrahydrofuran-2-ylmethyl)purine-2,6-dione CAS Name: 7-(2-oxolanylmethyl)-3-(phenylmethyl)-8-(1-phenyl-4-pyrazolyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-(oxolan-2-ylmethyl)-8-(1-phenylpyrazol-4-yl)purine-2,6-dione Traditional Name: 3-benzyl-8-(1-phenylpyrazol-4-yl)-7-(tetrahydrofurfuryl)xanthine Formula: C26H24N6O3 MolecularWeight: 468.50716

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C3=C(N=C2C4=CN(N=C4)C5=CC=CC=C5)N(C(=O)NC3=O)CC6=CC=CC=C6

Isomeric SMILES

C1CC(OC1)CN2C3=C(N=C2C4=CN(N=C4)C5=CC=CC=C5)N(C(=O)NC3=O)CC6=CC=CC=C6

InChI

InChI=1S/C26H24N6O3/c33-25-22-24(31(26(34)29-25)15-18-8-3-1-4-9-18)28-23(30(22)17-21-12-7-13-35-21)19-14-27-32(16-19)20-10-5-2-6-11-20/h1-6,8-11,14,16,21H,7,12-13,15,17H2,(H,29,33,34)