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

Systemtic Name: 3-ethyl-8-[1-(phenylmethyl)pyrazol-4-yl]-1-prop-2-ynyl-7H-purine-2,6-dione Openeye Name: 8-(1-benzylpyrazol-4-yl)-3-ethyl-1-prop-2-ynyl-7H-purine-2,6-dione CAS Name: 3-ethyl-8-[1-(phenylmethyl)-4-pyrazolyl]-1-prop-2-ynyl-7H-purine-2,6-dione IUPAC Name: 8-(1-benzylpyrazol-4-yl)-3-ethyl-1-prop-2-ynyl-7H-purine-2,6-dione Traditional Name: 8-(1-benzylpyrazol-4-yl)-3-ethyl-1-propargyl-7H-purine-2,6-quinone Formula: C20H18N6O2 MolecularWeight: 374.39592

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC#C)NC(=N2)C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC#C)NC(=N2)C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C20H18N6O2/c1-3-10-26-19(27)16-18(25(4-2)20(26)28)23-17(22-16)15-11-21-24(13-15)12-14-8-6-5-7-9-14/h1,5-9,11,13H,4,10,12H2,2H3,(H,22,23)