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

Systemtic Name: tert-butyl 4-[7-but-2-ynyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-(7-but-2-ynyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)piperazine-1-carboxylate CAS Name: 4-(7-but-2-ynyl-1,3-dimethyl-2,6-dioxo-8-purinyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(7-but-2-ynyl-1,3-dimethyl-2,6-dioxopurin-8-yl)piperazine-1-carboxylate Traditional Name: 4-(7-but-2-ynyl-2,6-diketo-1,3-dimethyl-purin-8-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C20H28N6O4 MolecularWeight: 416.47412

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCN(CC3)C(=O)OC(C)(C)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCN(CC3)C(=O)OC(C)(C)C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C20H28N6O4/c1-7-8-9-26-14-15(22(5)18(28)23(6)16(14)27)21-17(26)24-10-12-25(13-11-24)19(29)30-20(2,3)4/h9-13H2,1-6H3