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

Systemtic Name: tert-butyl N-[(3R)-1-[7-but-2-ynyl-3-cyclopropyl-2,6-bis(oxidanylidene)purin-8-yl]piperidin-3-yl]carbamate Openeye Name: tert-butyl N-[(3R)-1-(7-but-2-ynyl-3-cyclopropyl-2,6-dioxo-purin-8-yl)-3-piperidyl]carbamate CAS Name: N-[(3R)-1-(7-but-2-ynyl-3-cyclopropyl-2,6-dioxo-8-purinyl)-3-piperidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(3R)-1-(7-but-2-ynyl-3-cyclopropyl-2,6-dioxopurin-8-yl)piperidin-3-yl]carbamate Traditional Name: N-[(3R)-1-(7-but-2-ynyl-3-cyclopropyl-2,6-diketo-purin-8-yl)-3-piperidyl]carbamic acid tert-butyl ester Formula: C22H30N6O4 MolecularWeight: 442.5114

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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)C4CC4

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCC[C@H](C3)NC(=O)OC(C)(C)C)N(C(=O)NC2=O)C4CC4

InChI

InChI=1S/C22H30N6O4/c1-5-6-12-27-16-17(28(15-9-10-15)20(30)25-18(16)29)24-19(27)26-11-7-8-14(13-26)23-21(31)32-22(2,3)4/h14-15H,7-13H2,1-4H3,(H,23,31)(H,25,29,30)/t14-/m1/s1