tert-butyl 4-[1-(2-ethoxy-2-oxidanylidene-ethyl)-3-methyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-(2-ethoxy-2-oxidanylidene-ethyl)-3-methyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-(2-ethoxy-2-oxo-ethyl)-3-methyl-2,6-dioxo-7H-purin-8-yl]piperazine-1-carboxylate CAS Name: 4-[1-(2-ethoxy-2-oxoethyl)-3-methyl-2,6-dioxo-7H-purin-8-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(2-ethoxy-2-oxoethyl)-3-methyl-2,6-dioxo-7H-purin-8-yl]piperazine-1-carboxylate Traditional Name: 4-[1-(2-ethoxy-2-keto-ethyl)-2,6-diketo-3-methyl-7H-purin-8-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C19H28N6O6 MolecularWeight: 436.46222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)C2=C(N=C(N2)N3CCN(CC3)C(=O)OC(C)(C)C)N(C1=O)C

Isomeric SMILES

CCOC(=O)CN1C(=O)C2=C(N=C(N2)N3CCN(CC3)C(=O)OC(C)(C)C)N(C1=O)C

InChI

InChI=1S/C19H28N6O6/c1-6-30-12(26)11-25-15(27)13-14(22(5)17(25)28)21-16(20-13)23-7-9-24(10-8-23)18(29)31-19(2,3)4/h6-11H2,1-5H3,(H,20,21)