2-[7-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)ethanamide

Systemtic Name: 2-[7-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)ethanamide Openeye Name: 2-(3-benzyl-7-ethyl-2,6-dioxo-purin-1-yl)-N-(2-isopropylpyrazol-3-yl)acetamide CAS Name: 2-[7-ethyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]-N-(2-propan-2-yl-3-pyrazolyl)acetamide IUPAC Name: 2-(3-benzyl-7-ethyl-2,6-dioxopurin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide Traditional Name: 2-(3-benzyl-7-ethyl-2,6-diketo-purin-1-yl)-N-(2-isopropylpyrazol-3-yl)acetamide Formula: C22H25N7O3 MolecularWeight: 435.479

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NC4=CC=NN4C(C)C

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NC4=CC=NN4C(C)C

InChI

InChI=1S/C22H25N7O3/c1-4-26-14-23-20-19(26)21(31)28(22(32)27(20)12-16-8-6-5-7-9-16)13-18(30)25-17-10-11-24-29(17)15(2)3/h5-11,14-15H,4,12-13H2,1-3H3,(H,25,30)