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

Systemtic Name: ethyl 4-[[9-(4-chlorophenyl)purin-6-yl]amino]benzoate Openeye Name: ethyl 4-[[9-(4-chlorophenyl)purin-6-yl]amino]benzoate CAS Name: 4-[[9-(4-chlorophenyl)-6-purinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[9-(4-chlorophenyl)purin-6-yl]amino]benzoate Traditional Name: 4-[[9-(4-chlorophenyl)purin-6-yl]amino]benzoic acid ethyl ester Formula: C20H16ClN5O2 MolecularWeight: 393.82634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC=NC3=C2N=CN3C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC=NC3=C2N=CN3C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H16ClN5O2/c1-2-28-20(27)13-3-7-15(8-4-13)25-18-17-19(23-11-22-18)26(12-24-17)16-9-5-14(21)6-10-16/h3-12H,2H2,1H3,(H,22,23,25)