ethyl 4-[[9-(phenylmethyl)purin-6-yl]amino]benzoate

Systemtic Name: ethyl 4-[[9-(phenylmethyl)purin-6-yl]amino]benzoate Openeye Name: ethyl 4-[(9-benzylpurin-6-yl)amino]benzoate CAS Name: 4-[[9-(phenylmethyl)-6-purinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(9-benzylpurin-6-yl)amino]benzoate Traditional Name: 4-[(9-benzylpurin-6-yl)amino]benzoic acid ethyl ester Formula: C21H19N5O2 MolecularWeight: 373.40786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC=NC3=C2N=CN3CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC=NC3=C2N=CN3CC4=CC=CC=C4

InChI

InChI=1S/C21H19N5O2/c1-2-28-21(27)16-8-10-17(11-9-16)25-19-18-20(23-13-22-19)26(14-24-18)12-15-6-4-3-5-7-15/h3-11,13-14H,2,12H2,1H3,(H,22,23,25)