tert-butyl N-[(3R)-1-[7-but-2-ynyl-2,6-bis(oxidanylidene)-1-phenacyl-3-phenyl-purin-8-yl]piperidin-3-yl]carbamate

Systemtic Name: tert-butyl N-[(3R)-1-[7-but-2-ynyl-2,6-bis(oxidanylidene)-1-phenacyl-3-phenyl-purin-8-yl]piperidin-3-yl]carbamate Openeye Name: tert-butyl N-[(3R)-1-(7-but-2-ynyl-2,6-dioxo-1-phenacyl-3-phenyl-purin-8-yl)-3-piperidyl]carbamate CAS Name: N-[(3R)-1-(7-but-2-ynyl-2,6-dioxo-1-phenacyl-3-phenyl-8-purinyl)-3-piperidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(3R)-1-(7-but-2-ynyl-2,6-dioxo-1-phenacyl-3-phenylpurin-8-yl)piperidin-3-yl]carbamate Traditional Name: N-[(3R)-1-(7-but-2-ynyl-2,6-diketo-1-phenacyl-3-phenyl-purin-8-yl)-3-piperidyl]carbamic acid tert-butyl ester Formula: C33H36N6O5 MolecularWeight: 596.67614

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCCC(C3)NC(=O)OC(C)(C)C)N(C(=O)N(C2=O)CC(=O)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCC[C@H](C3)NC(=O)OC(C)(C)C)N(C(=O)N(C2=O)CC(=O)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H36N6O5/c1-5-6-20-37-27-28(35-30(37)36-19-13-16-24(21-36)34-31(42)44-33(2,3)4)39(25-17-11-8-12-18-25)32(43)38(29(27)41)22-26(40)23-14-9-7-10-15-23/h7-12,14-15,17-18,24H,13,16,19-22H2,1-4H3,(H,34,42)/t24-/m1/s1