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

Systemtic Name: tert-butyl N-[1-[7-but-2-ynyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]piperidin-3-yl]carbamate Openeye Name: tert-butyl N-[1-(7-but-2-ynyl-3-methyl-2,6-dioxo-purin-8-yl)-3-piperidyl]carbamate CAS Name: N-[1-(7-but-2-ynyl-3-methyl-2,6-dioxo-8-purinyl)-3-piperidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(7-but-2-ynyl-3-methyl-2,6-dioxopurin-8-yl)piperidin-3-yl]carbamate Traditional Name: N-[1-(7-but-2-ynyl-2,6-diketo-3-methyl-purin-8-yl)-3-piperidyl]carbamic acid tert-butyl ester Formula: C20H28N6O4 MolecularWeight: 416.47412

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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)C

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCCC(C3)NC(=O)OC(C)(C)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C20H28N6O4/c1-6-7-11-26-14-15(24(5)18(28)23-16(14)27)22-17(26)25-10-8-9-13(12-25)21-19(29)30-20(2,3)4/h13H,8-12H2,1-5H3,(H,21,29)(H,23,27,28)