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

Systemtic Name: methyl 4-[[9-(4-chlorophenyl)purin-6-yl]amino]benzoate Openeye Name: methyl 4-[[9-(4-chlorophenyl)purin-6-yl]amino]benzoate CAS Name: 4-[[9-(4-chlorophenyl)-6-purinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[9-(4-chlorophenyl)purin-6-yl]amino]benzoate Traditional Name: 4-[[9-(4-chlorophenyl)purin-6-yl]amino]benzoic acid methyl ester Formula: C19H14ClN5O2 MolecularWeight: 379.79976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14ClN5O2/c1-27-19(26)12-2-6-14(7-3-12)24-17-16-18(22-10-21-17)25(11-23-16)15-8-4-13(20)5-9-15/h2-11H,1H3,(H,21,22,24)