ethyl 4-[[9-[(4-methoxyphenyl)methyl]-8-pyridin-2-yl-purin-6-yl]amino]benzoate

Systemtic Name: ethyl 4-[[9-[(4-methoxyphenyl)methyl]-8-pyridin-2-yl-purin-6-yl]amino]benzoate Openeye Name: ethyl 4-[[9-[(4-methoxyphenyl)methyl]-8-(2-pyridyl)purin-6-yl]amino]benzoate CAS Name: 4-[[9-[(4-methoxyphenyl)methyl]-8-(2-pyridinyl)-6-purinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[9-[(4-methoxyphenyl)methyl]-8-pyridin-2-ylpurin-6-yl]amino]benzoate Traditional Name: 4-[[9-p-anisyl-8-(2-pyridyl)purin-6-yl]amino]benzoic acid ethyl ester Formula: C27H24N6O3 MolecularWeight: 480.51786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC=NC3=C2N=C(N3CC4=CC=C(C=C4)OC)C5=CC=CC=N5

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC=NC3=C2N=C(N3CC4=CC=C(C=C4)OC)C5=CC=CC=N5

InChI

InChI=1S/C27H24N6O3/c1-3-36-27(34)19-9-11-20(12-10-19)31-24-23-26(30-17-29-24)33(16-18-7-13-21(35-2)14-8-18)25(32-23)22-6-4-5-15-28-22/h4-15,17H,3,16H2,1-2H3,(H,29,30,31)