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

Systemtic Name: tert-butyl N-[(3R)-1-[7-but-2-ynyl-2,6-bis(oxidanylidene)-3-phenyl-purin-8-yl]piperidin-3-yl]carbamate Openeye Name: tert-butyl N-[(3R)-1-(7-but-2-ynyl-2,6-dioxo-3-phenyl-purin-8-yl)-3-piperidyl]carbamate CAS Name: N-[(3R)-1-(7-but-2-ynyl-2,6-dioxo-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-3-phenylpurin-8-yl)piperidin-3-yl]carbamate Traditional Name: N-[(3R)-1-(7-but-2-ynyl-2,6-diketo-3-phenyl-purin-8-yl)-3-piperidyl]carbamic acid tert-butyl ester Formula: C25H30N6O4 MolecularWeight: 478.5435

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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)NC2=O)C4=CC=CC=C4

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCC[C@H](C3)NC(=O)OC(C)(C)C)N(C(=O)NC2=O)C4=CC=CC=C4

InChI

InChI=1S/C25H30N6O4/c1-5-6-15-30-19-20(31(23(33)28-21(19)32)18-12-8-7-9-13-18)27-22(30)29-14-10-11-17(16-29)26-24(34)35-25(2,3)4/h7-9,12-13,17H,10-11,14-16H2,1-4H3,(H,26,34)(H,28,32,33)/t17-/m1/s1