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

Systemtic Name: tert-butyl 4-[7-but-2-ynyl-2,6-bis(oxidanylidene)-3H-purin-8-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-(7-but-2-ynyl-2,6-dioxo-3H-purin-8-yl)piperazine-1-carboxylate CAS Name: 4-(7-but-2-ynyl-2,6-dioxo-3H-purin-8-yl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(7-but-2-ynyl-2,6-dioxo-3H-purin-8-yl)piperazine-1-carboxylate Traditional Name: 4-(7-but-2-ynyl-2,6-diketo-3H-purin-8-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C18H24N6O4 MolecularWeight: 388.42096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N6O4/c1-5-6-7-24-12-13(19-15(26)21-14(12)25)20-16(24)22-8-10-23(11-9-22)17(27)28-18(2,3)4/h7-11H2,1-4H3,(H2,19,21,25,26)