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

Systemtic Name: 8-[1-(phenylmethyl)pyrazol-4-yl]-3-(pyridin-3-ylmethyl)-7H-purine-2,6-dione Openeye Name: 8-(1-benzylpyrazol-4-yl)-3-(3-pyridylmethyl)-7H-purine-2,6-dione CAS Name: 8-[1-(phenylmethyl)-4-pyrazolyl]-3-(3-pyridinylmethyl)-7H-purine-2,6-dione IUPAC Name: 8-(1-benzylpyrazol-4-yl)-3-(pyridin-3-ylmethyl)-7H-purine-2,6-dione Traditional Name: 8-(1-benzylpyrazol-4-yl)-3-(3-pyridylmethyl)-7H-purine-2,6-quinone Formula: C21H17N7O2 MolecularWeight: 399.40538

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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)N4CC5=CN=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)C3=NC4=C(N3)C(=O)NC(=O)N4CC5=CN=CC=C5

InChI

InChI=1S/C21H17N7O2/c29-20-17-19(28(21(30)26-20)12-15-7-4-8-22-9-15)25-18(24-17)16-10-23-27(13-16)11-14-5-2-1-3-6-14/h1-10,13H,11-12H2,(H,24,25)(H,26,29,30)