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

Systemtic Name: 3-phenyl-8-[1-(phenylmethyl)pyrazol-4-yl]-7H-purine-2,6-dione Openeye Name: 8-(1-benzylpyrazol-4-yl)-3-phenyl-7H-purine-2,6-dione CAS Name: 3-phenyl-8-[1-(phenylmethyl)-4-pyrazolyl]-7H-purine-2,6-dione IUPAC Name: 8-(1-benzylpyrazol-4-yl)-3-phenyl-7H-purine-2,6-dione Traditional Name: 8-(1-benzylpyrazol-4-yl)-3-phenyl-7H-purine-2,6-quinone Formula: C21H16N6O2 MolecularWeight: 384.39074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=N2)C3=NC4=C(N3)C(=O)NC(=O)N4C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)C3=NC4=C(N3)C(=O)NC(=O)N4C5=CC=CC=C5

InChI

InChI=1S/C21H16N6O2/c28-20-17-19(27(21(29)25-20)16-9-5-2-6-10-16)24-18(23-17)15-11-22-26(13-15)12-14-7-3-1-4-8-14/h1-11,13H,12H2,(H,23,24)(H,25,28,29)