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

Systemtic Name: tert-butyl 4-[4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)butanoyl]piperazine-1-carboxylate CAS Name: 4-[4-(1,3-dimethyl-2,6-dioxo-7-purinyl)-1-oxobutyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanoyl]piperazine-1-carboxylate Traditional Name: 4-[4-(2,6-diketo-1,3-dimethyl-purin-7-yl)butanoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H30N6O5 MolecularWeight: 434.4894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C20H30N6O5/c1-20(2,3)31-19(30)25-11-9-24(10-12-25)14(27)7-6-8-26-13-21-16-15(26)17(28)23(5)18(29)22(16)4/h13H,6-12H2,1-5H3