(phenylmethyl) 6-azanyl-9-(2-ethoxy-2-oxidanylidene-ethyl)-3H-purine-6-carboxylate

Systemtic Name: (phenylmethyl) 6-azanyl-9-(2-ethoxy-2-oxidanylidene-ethyl)-3H-purine-6-carboxylate Openeye Name: benzyl 6-amino-9-(2-ethoxy-2-oxo-ethyl)-3H-purine-6-carboxylate CAS Name: 6-amino-9-(2-ethoxy-2-oxoethyl)-3H-purine-6-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-amino-9-(2-ethoxy-2-oxoethyl)-3H-purine-6-carboxylate Traditional Name: 6-amino-9-(2-ethoxy-2-keto-ethyl)-3H-purine-6-carboxylic acid benzyl ester Formula: C17H19N5O4 MolecularWeight: 357.36386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C=NC2=C1NC=NC2(C(=O)OCC3=CC=CC=C3)N

Isomeric SMILES

CCOC(=O)CN1C=NC2=C1NC=NC2(C(=O)OCC3=CC=CC=C3)N

InChI

InChI=1S/C17H19N5O4/c1-2-25-13(23)8-22-11-20-14-15(22)19-10-21-17(14,18)16(24)26-9-12-6-4-3-5-7-12/h3-7,10-11H,2,8-9,18H2,1H3,(H,19,21)