(phenylmethyl) N-(ethylamino)-N-[5-(6-oxidanylidene-3H-purin-9-yl)pentoxycarbonyl]carbamate

Systemtic Name: (phenylmethyl) N-(ethylamino)-N-[5-(6-oxidanylidene-3H-purin-9-yl)pentoxycarbonyl]carbamate Openeye Name: 5-(6-oxo-3H-purin-9-yl)pentyl N-benzyloxycarbonyl-N-(ethylamino)carbamate CAS Name: N-(ethylamino)-N-[oxo-[5-(6-oxo-3H-purin-9-yl)pentoxy]methyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-(ethylamino)-N-[5-(6-oxo-3H-purin-9-yl)pentoxycarbonyl]carbamate Traditional Name: N-carbobenzoxy-N-(ethylamino)carbamic acid 5-(6-keto-3H-purin-9-yl)pentyl ester Formula: C21H26N6O5 MolecularWeight: 442.46834

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Descriptors Computed from Structure

Canonical SMILES:

CCNN(C(=O)OCCCCCN1C=NC2=C1NC=NC2=O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCNN(C(=O)OCCCCCN1C=NC2=C1NC=NC2=O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H26N6O5/c1-2-25-27(21(30)32-13-16-9-5-3-6-10-16)20(29)31-12-8-4-7-11-26-15-24-17-18(26)22-14-23-19(17)28/h3,5-6,9-10,14-15,25H,2,4,7-8,11-13H2,1H3,(H,22,23,28)