tert-butyl 4-[7-(2-cyclopropylideneethyl)-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[7-(2-cyclopropylideneethyl)-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[7-(2-cyclopropylideneethyl)-1,3-dimethyl-2,6-dioxo-purin-8-yl]piperazine-1-carboxylate CAS Name: 4-[7-(2-cyclopropylideneethyl)-1,3-dimethyl-2,6-dioxo-8-purinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[7-(2-cyclopropylideneethyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]piperazine-1-carboxylate Traditional Name: 4-[7-(2-cyclopropylideneethyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H30N6O4 MolecularWeight: 430.5007

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC3=C(N2CC=C4CC4)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC3=C(N2CC=C4CC4)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C21H30N6O4/c1-21(2,3)31-20(30)26-12-10-25(11-13-26)18-22-16-15(27(18)9-8-14-6-7-14)17(28)24(5)19(29)23(16)4/h8H,6-7,9-13H2,1-5H3