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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1N3C(=CC(=N3)C)C)N(C(=O)N(C2=O)CC(=O)OC)C

Isomeric SMILES

CCCN1C2=C(N=C1N3C(=CC(=N3)C)C)N(C(=O)N(C2=O)CC(=O)OC)C

InChI

InChI=1S/C17H22N6O4/c1-6-7-21-13-14(18-16(21)23-11(3)8-10(2)19-23)20(4)17(26)22(15(13)25)9-12(24)27-5/h8H,6-7,9H2,1-5H3