methyl 2-[8-(3,5-dimethylpyrazol-1-yl)-3-methyl-2,6-bis(oxidanylidene)-7-phenethyl-purin-1-yl]ethanoate

Systemtic Name: methyl 2-[8-(3,5-dimethylpyrazol-1-yl)-3-methyl-2,6-bis(oxidanylidene)-7-phenethyl-purin-1-yl]ethanoate Openeye Name: methyl 2-[8-(3,5-dimethylpyrazol-1-yl)-3-methyl-2,6-dioxo-7-phenethyl-purin-1-yl]acetate CAS Name: 2-[8-(3,5-dimethyl-1-pyrazolyl)-3-methyl-2,6-dioxo-7-phenethyl-1-purinyl]acetic acid methyl ester IUPAC Name: methyl 2-[8-(3,5-dimethylpyrazol-1-yl)-3-methyl-2,6-dioxo-7-phenethylpurin-1-yl]acetate Traditional Name: 2-[8-(3,5-dimethylpyrazol-1-yl)-2,6-diketo-3-methyl-7-phenethyl-purin-1-yl]acetic acid methyl ester Formula: C22H24N6O4 MolecularWeight: 436.46376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(N2CCC4=CC=CC=C4)C(=O)N(C(=O)N3C)CC(=O)OC)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(N2CCC4=CC=CC=C4)C(=O)N(C(=O)N3C)CC(=O)OC)C

InChI

InChI=1S/C22H24N6O4/c1-14-12-15(2)28(24-14)21-23-19-18(26(21)11-10-16-8-6-5-7-9-16)20(30)27(13-17(29)32-4)22(31)25(19)3/h5-9,12H,10-11,13H2,1-4H3