2-[2-oxidanylidene-6-[N'-(phenylcarbonyl)carbamimidoyl]-1H-purin-9-yl]ethyl N-phenylcarbamate

Systemtic Name: 2-[2-oxidanylidene-6-[N'-(phenylcarbonyl)carbamimidoyl]-1H-purin-9-yl]ethyl N-phenylcarbamate Openeye Name: 2-[6-(N'-benzoylcarbamimidoyl)-2-oxo-1H-purin-9-yl]ethyl N-phenylcarbamate CAS Name: N-phenylcarbamic acid 2-[6-[amino(benzoylimino)methyl]-2-oxo-1H-purin-9-yl]ethyl ester IUPAC Name: 2-[6-(N'-benzoylcarbamimidoyl)-2-oxo-1H-purin-9-yl]ethyl N-phenylcarbamate Traditional Name: N-phenylcarbamic acid 2-[6-(N'-benzoylamidino)-2-keto-1H-purin-9-yl]ethyl ester Formula: C22H19N7O4 MolecularWeight: 445.43076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N=C(C2=C3C(=NC(=O)N2)N(C=N3)CCOC(=O)NC4=CC=CC=C4)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N=C(C2=C3C(=NC(=O)N2)N(C=N3)CCOC(=O)NC4=CC=CC=C4)N

InChI

InChI=1S/C22H19N7O4/c23-18(27-20(30)14-7-3-1-4-8-14)16-17-19(28-21(31)26-16)29(13-24-17)11-12-33-22(32)25-15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,25,32)(H2,23,27,30)(H,26,28,31)