[3-[[2-chloranyl-9-(phenylmethyl)purin-6-yl]amino]phenyl] propanoate

Systemtic Name: [3-[[2-chloranyl-9-(phenylmethyl)purin-6-yl]amino]phenyl] propanoate Openeye Name: [3-[(9-benzyl-2-chloro-purin-6-yl)amino]phenyl] propanoate CAS Name: propanoic acid [3-[[2-chloro-9-(phenylmethyl)-6-purinyl]amino]phenyl] ester IUPAC Name: [3-[(9-benzyl-2-chloropurin-6-yl)amino]phenyl] propanoate Traditional Name: propionic acid [3-[(9-benzyl-2-chloro-purin-6-yl)amino]phenyl] ester Formula: C21H18ClN5O2 MolecularWeight: 407.85292

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC=CC(=C1)NC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)Cl

Isomeric SMILES

CCC(=O)OC1=CC=CC(=C1)NC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)Cl

InChI

InChI=1S/C21H18ClN5O2/c1-2-17(28)29-16-10-6-9-15(11-16)24-19-18-20(26-21(22)25-19)27(13-23-18)12-14-7-4-3-5-8-14/h3-11,13H,2,12H2,1H3,(H,24,25,26)