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

Systemtic Name: tert-butyl 4-[7-but-2-ynyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-(7-but-2-ynyl-3-methyl-2,6-dioxo-purin-8-yl)piperazine-1-carboxylate CAS Name: 4-(7-but-2-ynyl-3-methyl-2,6-dioxo-8-purinyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(7-but-2-ynyl-3-methyl-2,6-dioxopurin-8-yl)piperazine-1-carboxylate Traditional Name: 4-(7-but-2-ynyl-2,6-diketo-3-methyl-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#CCN1C2=C(N=C1N3CCN(CC3)C(=O)OC(C)(C)C)N(C(=O)NC2=O)C

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCN(CC3)C(=O)OC(C)(C)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C19H26N6O4/c1-6-7-8-25-13-14(22(5)17(27)21-15(13)26)20-16(25)23-9-11-24(12-10-23)18(28)29-19(2,3)4/h8-12H2,1-5H3,(H,21,26,27)