(phenylmethyl) 2-[2-[(2-chloranyl-7H-purin-6-yl)-cyclopropyl-amino]ethanoylamino]ethanoate

Systemtic Name: (phenylmethyl) 2-[2-[(2-chloranyl-7H-purin-6-yl)-cyclopropyl-amino]ethanoylamino]ethanoate Openeye Name: benzyl 2-[[2-[(2-chloro-7H-purin-6-yl)-cyclopropyl-amino]acetyl]amino]acetate CAS Name: 2-[[2-[(2-chloro-7H-purin-6-yl)-cyclopropylamino]-1-oxoethyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-[(2-chloro-7H-purin-6-yl)-cyclopropylamino]acetyl]amino]acetate Traditional Name: 2-[[2-[(2-chloro-7H-purin-6-yl)-cyclopropyl-amino]acetyl]amino]acetic acid benzyl ester Formula: C19H19ClN6O3 MolecularWeight: 414.84556

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC(=O)NCC(=O)OCC2=CC=CC=C2)C3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

C1CC1N(CC(=O)NCC(=O)OCC2=CC=CC=C2)C3=NC(=NC4=C3NC=N4)Cl

InChI

InChI=1S/C19H19ClN6O3/c20-19-24-17-16(22-11-23-17)18(25-19)26(13-6-7-13)9-14(27)21-8-15(28)29-10-12-4-2-1-3-5-12/h1-5,11,13H,6-10H2,(H,21,27)(H,22,23,24,25)