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

Systemtic Name: tert-butyl N-[[1-(5-azidohexyl)-3-methyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]methyl]carbamate Openeye Name: tert-butyl N-[[1-(5-azidohexyl)-3-methyl-2,6-dioxo-7H-purin-8-yl]methyl]carbamate CAS Name: N-[[1-(5-azidohexyl)-3-methyl-2,6-dioxo-7H-purin-8-yl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[1-(5-azidohexyl)-3-methyl-2,6-dioxo-7H-purin-8-yl]methyl]carbamate Traditional Name: N-[[1-(5-azidohexyl)-2,6-diketo-3-methyl-7H-purin-8-yl]methyl]carbamic acid tert-butyl ester Formula: C18H28N8O4 MolecularWeight: 420.46612

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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)N=[N+]=[N-]

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=C(N2)CNC(=O)OC(C)(C)C)N(C1=O)C)N=[N+]=[N-]

InChI

InChI=1S/C18H28N8O4/c1-11(23-24-19)8-6-7-9-26-15(27)13-14(25(5)17(26)29)22-12(21-13)10-20-16(28)30-18(2,3)4/h11H,6-10H2,1-5H3,(H,20,28)(H,21,22)