tert-butyl N-[2-[1,7-dimethyl-8-nitro-2,6-bis(oxidanylidene)purin-3-yl]ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[1,7-dimethyl-8-nitro-2,6-bis(oxidanylidene)purin-3-yl]ethyl]carbamate Openeye Name: tert-butyl N-[2-(1,7-dimethyl-8-nitro-2,6-dioxo-purin-3-yl)ethyl]carbamate CAS Name: N-[2-(1,7-dimethyl-8-nitro-2,6-dioxo-3-purinyl)ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-(1,7-dimethyl-8-nitro-2,6-dioxopurin-3-yl)ethyl]carbamate Traditional Name: N-[2-(2,6-diketo-1,7-dimethyl-8-nitro-purin-3-yl)ethyl]carbamic acid tert-butyl ester Formula: C14H20N6O6 MolecularWeight: 368.3452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCN1C2=C(C(=O)N(C1=O)C)N(C(=N2)[N+](=O)[O-])C

Isomeric SMILES

CC(C)(C)OC(=O)NCCN1C2=C(C(=O)N(C1=O)C)N(C(=N2)[N+](=O)[O-])C

InChI

InChI=1S/C14H20N6O6/c1-14(2,3)26-12(22)15-6-7-19-9-8(10(21)18(5)13(19)23)17(4)11(16-9)20(24)25/h6-7H2,1-5H3,(H,15,22)