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

Systemtic Name: tert-butyl 4-[7-but-2-ynyl-2,6-bis(oxidanylidene)-1-phenethyl-3H-purin-8-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-(7-but-2-ynyl-2,6-dioxo-1-phenethyl-3H-purin-8-yl)piperazine-1-carboxylate CAS Name: 4-(7-but-2-ynyl-2,6-dioxo-1-phenethyl-3H-purin-8-yl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(7-but-2-ynyl-2,6-dioxo-1-phenethyl-3H-purin-8-yl)piperazine-1-carboxylate Traditional Name: 4-(7-but-2-ynyl-2,6-diketo-1-phenethyl-3H-purin-8-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C26H32N6O4 MolecularWeight: 492.57008

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(NC(=O)N(C2=O)CCC3=CC=CC=C3)N=C1N4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC#CCN1C2=C(NC(=O)N(C2=O)CCC3=CC=CC=C3)N=C1N4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H32N6O4/c1-5-6-13-31-20-21(28-24(34)32(22(20)33)14-12-19-10-8-7-9-11-19)27-23(31)29-15-17-30(18-16-29)25(35)36-26(2,3)4/h7-11H,12-18H2,1-4H3,(H,28,34)