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(phenylmethyl) 2-azanyl-1-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]ethanoyl]-6-oxidanylidene-7H-purine-8-carboxylate

(phenylmethyl) 2-azanyl-1-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]ethanoyl]-6-oxidanylidene-7H-purine-8-carboxylate

Systemtic Name:(phenylmethyl) 2-azanyl-1-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]ethanoyl]-6-oxidanylidene-7H-purine-8-carboxylate
Openeye Name:benzyl 2-amino-1-[2-[2-(tert-butoxycarbonylamino)ethylamino]acetyl]-6-oxo-7H-purine-8-carboxylate
CAS Name:2-amino-1-[2-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethylamino]-1-oxoethyl]-6-oxo-7H-purine-8-carboxylic acid (phenylmethyl) ester
IUPAC Name:benzyl 2-amino-1-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]acetyl]-6-oxo-7H-purine-8-carboxylate
Traditional Name:2-amino-1-[2-[2-(tert-butoxycarbonylamino)ethylamino]acetyl]-6-keto-7H-purine-8-carboxylic acid benzyl ester
Formula: C22H27N7O6
MolecularWeight: 485.49308
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCNCC(=O)N1C(=O)C2=C(N=C(N2)C(=O)OCC3=CC=CC=C3)N=C1N


Isomeric SMILES

CC(C)(C)OC(=O)NCCNCC(=O)N1C(=O)C2=C(N=C(N2)C(=O)OCC3=CC=CC=C3)N=C1N


InChI

InChI=1S/C22H27N7O6/c1-22(2,3)35-21(33)25-10-9-24-11-14(30)29-18(31)15-16(28-20(29)23)27-17(26-15)19(32)34-12-13-7-5-4-6-8-13/h4-8,24H,9-12H2,1-3H3,(H2,23,28)(H,25,33)(H,26,27)


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