tert-butyl N-[3-(1-benzofuran-3-yl)-8-carbamimidoyl-1-ethyl-2,6-bis(oxidanylidene)purin-9-yl]carbonylcarbamate

Systemtic Name: tert-butyl N-[3-(1-benzofuran-3-yl)-8-carbamimidoyl-1-ethyl-2,6-bis(oxidanylidene)purin-9-yl]carbonylcarbamate Openeye Name: tert-butyl N-[3-(benzofuran-3-yl)-8-carbamimidoyl-1-ethyl-2,6-dioxo-purine-9-carbonyl]carbamate CAS Name: N-[[3-(3-benzofuranyl)-8-carbamimidoyl-1-ethyl-2,6-dioxo-9-purinyl]-oxomethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(1-benzofuran-3-yl)-8-carbamimidoyl-1-ethyl-2,6-dioxopurine-9-carbonyl]carbamate Traditional Name: N-[8-amidino-3-(benzofuran-3-yl)-1-ethyl-2,6-diketo-purine-9-carbonyl]carbamic acid tert-butyl ester Formula: C22H23N7O6 MolecularWeight: 481.46132

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N(C1=O)C3=COC4=CC=CC=C43)N(C(=N2)C(=N)N)C(=O)NC(=O)OC(C)(C)C

Isomeric SMILES

CCN1C(=O)C2=C(N(C1=O)C3=COC4=CC=CC=C43)N(C(=N2)C(=N)N)C(=O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H23N7O6/c1-5-27-18(30)14-17(28(21(27)33)12-10-34-13-9-7-6-8-11(12)13)29(16(25-14)15(23)24)19(31)26-20(32)35-22(2,3)4/h6-10H,5H2,1-4H3,(H3,23,24)(H,26,31,32)