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

Systemtic Name: methyl 2-[7-butyl-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-2,6-bis(oxidanylidene)purin-1-yl]ethanoate Openeye Name: methyl 2-[7-butyl-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-2,6-dioxo-purin-1-yl]acetate CAS Name: 2-[7-butyl-8-(3,5-dimethyl-1-pyrazolyl)-3-methyl-2,6-dioxo-1-purinyl]acetic acid methyl ester IUPAC Name: methyl 2-[7-butyl-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-2,6-dioxopurin-1-yl]acetate Traditional Name: 2-[7-butyl-8-(3,5-dimethylpyrazol-1-yl)-2,6-diketo-3-methyl-purin-1-yl]acetic acid methyl ester Formula: C18H24N6O4 MolecularWeight: 388.42096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1N3C(=CC(=N3)C)C)N(C(=O)N(C2=O)CC(=O)OC)C

Isomeric SMILES

CCCCN1C2=C(N=C1N3C(=CC(=N3)C)C)N(C(=O)N(C2=O)CC(=O)OC)C

InChI

InChI=1S/C18H24N6O4/c1-6-7-8-22-14-15(19-17(22)24-12(3)9-11(2)20-24)21(4)18(27)23(16(14)26)10-13(25)28-5/h9H,6-8,10H2,1-5H3