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

Systemtic Name: tert-butyl N-[[1-(5-azanylhexyl)-3-methyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]methyl]carbamate Openeye Name: tert-butyl N-[[1-(5-aminohexyl)-3-methyl-2,6-dioxo-7H-purin-8-yl]methyl]carbamate CAS Name: N-[[1-(5-aminohexyl)-3-methyl-2,6-dioxo-7H-purin-8-yl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[1-(5-aminohexyl)-3-methyl-2,6-dioxo-7H-purin-8-yl]methyl]carbamate Traditional Name: N-[[1-(5-aminohexyl)-2,6-diketo-3-methyl-7H-purin-8-yl]methyl]carbamic acid tert-butyl ester Formula: C18H30N6O4 MolecularWeight: 394.4686

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N6O4/c1-11(19)8-6-7-9-24-15(25)13-14(23(5)17(24)27)22-12(21-13)10-20-16(26)28-18(2,3)4/h11H,6-10,19H2,1-5H3,(H,20,26)(H,21,22)