tert-butyl N-[[1-(5-cyanohexyl)-3-methyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]methyl]carbamate

Systemtic Name: tert-butyl N-[[1-(5-cyanohexyl)-3-methyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]methyl]carbamate Openeye Name: tert-butyl N-[[1-(5-cyanohexyl)-3-methyl-2,6-dioxo-7H-purin-8-yl]methyl]carbamate CAS Name: N-[[1-(5-cyanohexyl)-3-methyl-2,6-dioxo-7H-purin-8-yl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[1-(5-cyanohexyl)-3-methyl-2,6-dioxo-7H-purin-8-yl]methyl]carbamate Traditional Name: N-[[1-(5-cyanohexyl)-2,6-diketo-3-methyl-7H-purin-8-yl]methyl]carbamic acid tert-butyl ester Formula: C19H28N6O4 MolecularWeight: 404.46342

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=C(N2)CNC(=O)OC(C)(C)C)N(C1=O)C)C#N

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=C(N2)CNC(=O)OC(C)(C)C)N(C1=O)C)C#N

InChI

InChI=1S/C19H28N6O4/c1-12(10-20)8-6-7-9-25-16(26)14-15(24(5)18(25)28)23-13(22-14)11-21-17(27)29-19(2,3)4/h12H,6-9,11H2,1-5H3,(H,21,27)(H,22,23)