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

Systemtic Name: tert-butyl N-[[3-methyl-1-(5-oxidanylhexyl)-2,6-bis(oxidanylidene)-7H-purin-8-yl]methyl]carbamate Openeye Name: tert-butyl N-[[1-(5-hydroxyhexyl)-3-methyl-2,6-dioxo-7H-purin-8-yl]methyl]carbamate CAS Name: N-[[1-(5-hydroxyhexyl)-3-methyl-2,6-dioxo-7H-purin-8-yl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[1-(5-hydroxyhexyl)-3-methyl-2,6-dioxo-7H-purin-8-yl]methyl]carbamate Traditional Name: N-[[1-(5-hydroxyhexyl)-2,6-diketo-3-methyl-7H-purin-8-yl]methyl]carbamic acid tert-butyl ester Formula: C18H29N5O5 MolecularWeight: 395.45336

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C18H29N5O5/c1-11(24)8-6-7-9-23-15(25)13-14(22(5)17(23)27)21-12(20-13)10-19-16(26)28-18(2,3)4/h11,24H,6-10H2,1-5H3,(H,19,26)(H,20,21)