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

Systemtic Name: ethyl 2-[8-(3,5-diethylpyrazol-1-yl)-3-methyl-2,6-bis(oxidanylidene)-7-propan-2-yl-purin-1-yl]ethanoate Openeye Name: ethyl 2-[8-(3,5-diethylpyrazol-1-yl)-7-isopropyl-3-methyl-2,6-dioxo-purin-1-yl]acetate CAS Name: 2-[8-(3,5-diethyl-1-pyrazolyl)-3-methyl-2,6-dioxo-7-propan-2-yl-1-purinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[8-(3,5-diethylpyrazol-1-yl)-3-methyl-2,6-dioxo-7-propan-2-ylpurin-1-yl]acetate Traditional Name: 2-[8-(3,5-diethylpyrazol-1-yl)-7-isopropyl-2,6-diketo-3-methyl-purin-1-yl]acetic acid ethyl ester Formula: C20H28N6O4 MolecularWeight: 416.47412

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NN1C2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)CC(=O)OCC)CC

Isomeric SMILES

CCC1=CC(=NN1C2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)CC(=O)OCC)CC

InChI

InChI=1S/C20H28N6O4/c1-7-13-10-14(8-2)26(22-13)19-21-17-16(25(19)12(4)5)18(28)24(20(29)23(17)6)11-15(27)30-9-3/h10,12H,7-9,11H2,1-6H3