methyl 3-[7-but-2-ynyl-8-chloranyl-2,6-bis(oxidanylidene)-1-phenethyl-purin-3-yl]-2,2-dimethyl-propanoate

Systemtic Name: methyl 3-[7-but-2-ynyl-8-chloranyl-2,6-bis(oxidanylidene)-1-phenethyl-purin-3-yl]-2,2-dimethyl-propanoate Openeye Name: methyl 3-(7-but-2-ynyl-8-chloro-2,6-dioxo-1-phenethyl-purin-3-yl)-2,2-dimethyl-propanoate CAS Name: 3-(7-but-2-ynyl-8-chloro-2,6-dioxo-1-phenethyl-3-purinyl)-2,2-dimethylpropanoic acid methyl ester IUPAC Name: methyl 3-(7-but-2-ynyl-8-chloro-2,6-dioxo-1-phenethylpurin-3-yl)-2,2-dimethylpropanoate Traditional Name: 3-(7-but-2-ynyl-8-chloro-2,6-diketo-1-phenethyl-purin-3-yl)-2,2-dimethyl-propionic acid methyl ester Formula: C23H25ClN4O4 MolecularWeight: 456.922

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1Cl)N(C(=O)N(C2=O)CCC3=CC=CC=C3)CC(C)(C)C(=O)OC

Isomeric SMILES

CC#CCN1C2=C(N=C1Cl)N(C(=O)N(C2=O)CCC3=CC=CC=C3)CC(C)(C)C(=O)OC

InChI

InChI=1S/C23H25ClN4O4/c1-5-6-13-26-17-18(25-21(26)24)28(15-23(2,3)20(30)32-4)22(31)27(19(17)29)14-12-16-10-8-7-9-11-16/h7-11H,12-15H2,1-4H3