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

Systemtic Name: tert-butyl 4-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl]piperazine-1-carboxylate CAS Name: 4-[2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]piperazine-1-carboxylate Traditional Name: 4-[2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H28N6O4 MolecularWeight: 392.45272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CCN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CCN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C18H28N6O4/c1-18(2,3)28-17(27)23-9-6-22(7-10-23)8-11-24-12-19-14-13(24)15(25)21(5)16(26)20(14)4/h12H,6-11H2,1-5H3