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

Systemtic Name: methyl 2-[8-(3,5-dimethylpyrazol-1-yl)-3-methyl-2,6-bis(oxidanylidene)-7-propan-2-yl-purin-1-yl]ethanoate Openeye Name: methyl 2-[8-(3,5-dimethylpyrazol-1-yl)-7-isopropyl-3-methyl-2,6-dioxo-purin-1-yl]acetate CAS Name: 2-[8-(3,5-dimethyl-1-pyrazolyl)-3-methyl-2,6-dioxo-7-propan-2-yl-1-purinyl]acetic acid methyl ester IUPAC Name: methyl 2-[8-(3,5-dimethylpyrazol-1-yl)-3-methyl-2,6-dioxo-7-propan-2-ylpurin-1-yl]acetate Traditional Name: 2-[8-(3,5-dimethylpyrazol-1-yl)-7-isopropyl-2,6-diketo-3-methyl-purin-1-yl]acetic acid methyl ester Formula: C17H22N6O4 MolecularWeight: 374.39438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)CC(=O)OC)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)CC(=O)OC)C

InChI

InChI=1S/C17H22N6O4/c1-9(2)22-13-14(18-16(22)23-11(4)7-10(3)19-23)20(5)17(26)21(15(13)25)8-12(24)27-6/h7,9H,8H2,1-6H3