2-[3-methyl-2,6-bis(oxidanylidene)-7-phenethyl-8-(3,4,5-trimethylpyrazol-1-yl)purin-1-yl]ethanamide

Systemtic Name: 2-[3-methyl-2,6-bis(oxidanylidene)-7-phenethyl-8-(3,4,5-trimethylpyrazol-1-yl)purin-1-yl]ethanamide Openeye Name: 2-[3-methyl-2,6-dioxo-7-phenethyl-8-(3,4,5-trimethylpyrazol-1-yl)purin-1-yl]acetamide CAS Name: 2-[3-methyl-2,6-dioxo-7-phenethyl-8-(3,4,5-trimethyl-1-pyrazolyl)-1-purinyl]acetamide IUPAC Name: 2-[3-methyl-2,6-dioxo-7-phenethyl-8-(3,4,5-trimethylpyrazol-1-yl)purin-1-yl]acetamide Traditional Name: 2-[2,6-diketo-3-methyl-7-phenethyl-8-(3,4,5-trimethylpyrazol-1-yl)purin-1-yl]acetamide Formula: C22H25N7O3 MolecularWeight: 435.479

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C)C2=NC3=C(N2CCC4=CC=CC=C4)C(=O)N(C(=O)N3C)CC(=O)N)C

Isomeric SMILES

CC1=C(N(N=C1C)C2=NC3=C(N2CCC4=CC=CC=C4)C(=O)N(C(=O)N3C)CC(=O)N)C

InChI

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