(phenylmethyl) 2-azanyl-9-(2-chloranyl-2-oxidanylidene-ethyl)-1-phenylmethoxy-2,6-dihydropurine-3-carboxylate

Systemtic Name: (phenylmethyl) 2-azanyl-9-(2-chloranyl-2-oxidanylidene-ethyl)-1-phenylmethoxy-2,6-dihydropurine-3-carboxylate Openeye Name: benzyl 2-amino-1-benzyloxy-9-(2-chloro-2-oxo-ethyl)-2,6-dihydropurine-3-carboxylate CAS Name: 2-amino-9-(2-chloro-2-oxoethyl)-1-phenylmethoxy-2,6-dihydropurine-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-amino-9-(2-chloro-2-oxoethyl)-1-phenylmethoxy-2,6-dihydropurine-3-carboxylate Traditional Name: 2-amino-1-benzoxy-9-(2-chloro-2-keto-ethyl)-2,6-dihydropurine-3-carboxylic acid benzyl ester Formula: C22H22ClN5O4 MolecularWeight: 455.89418

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(N(C=N2)CC(=O)Cl)N(C(N1OCC3=CC=CC=C3)N)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1C2=C(N(C=N2)CC(=O)Cl)N(C(N1OCC3=CC=CC=C3)N)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H22ClN5O4/c23-19(29)12-26-15-25-18-11-27(32-14-17-9-5-2-6-10-17)21(24)28(20(18)26)22(30)31-13-16-7-3-1-4-8-16/h1-10,15,21H,11-14,24H2