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

Systemtic Name: 1-ethyl-8-[1-(phenylmethyl)pyrazol-4-yl]-3,7-dihydropurine-2,6-dione Openeye Name: 8-(1-benzylpyrazol-4-yl)-1-ethyl-3,7-dihydropurine-2,6-dione CAS Name: 1-ethyl-8-[1-(phenylmethyl)-4-pyrazolyl]-3,7-dihydropurine-2,6-dione IUPAC Name: 8-(1-benzylpyrazol-4-yl)-1-ethyl-3,7-dihydropurine-2,6-dione Traditional Name: 8-(1-benzylpyrazol-4-yl)-1-ethyl-7H-xanthine Formula: C17H16N6O2 MolecularWeight: 336.34794

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

CCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C17H16N6O2/c1-2-23-16(24)13-15(21-17(23)25)20-14(19-13)12-8-18-22(10-12)9-11-6-4-3-5-7-11/h3-8,10H,2,9H2,1H3,(H,19,20)(H,21,25)