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

Systemtic Name: tert-butyl 2-[7-but-2-ynyl-1-methyl-2,6-bis(oxidanylidene)-3H-purin-8-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 2-(7-but-2-ynyl-1-methyl-2,6-dioxo-3H-purin-8-yl)piperazine-1-carboxylate CAS Name: 2-(7-but-2-ynyl-1-methyl-2,6-dioxo-3H-purin-8-yl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(7-but-2-ynyl-1-methyl-2,6-dioxo-3H-purin-8-yl)piperazine-1-carboxylate Traditional Name: 2-(7-but-2-ynyl-2,6-diketo-1-methyl-3H-purin-8-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C19H26N6O4 MolecularWeight: 402.44754

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C(=NC2=C1C(=O)N(C(=O)N2)C)C3CNCCN3C(=O)OC(C)(C)C

Isomeric SMILES

CC#CCN1C(=NC2=C1C(=O)N(C(=O)N2)C)C3CNCCN3C(=O)OC(C)(C)C

InChI

InChI=1S/C19H26N6O4/c1-6-7-9-25-13-14(22-17(27)23(5)16(13)26)21-15(25)12-11-20-8-10-24(12)18(28)29-19(2,3)4/h12,20H,8-11H2,1-5H3,(H,22,27)