ethyl 4-[[9-(4-ethoxycarbonylphenyl)-6-methyl-purin-2-yl]amino]benzoate

Systemtic Name: ethyl 4-[[9-(4-ethoxycarbonylphenyl)-6-methyl-purin-2-yl]amino]benzoate Openeye Name: ethyl 4-[[9-(4-ethoxycarbonylphenyl)-6-methyl-purin-2-yl]amino]benzoate CAS Name: 4-[[9-(4-ethoxycarbonylphenyl)-6-methyl-2-purinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[9-(4-ethoxycarbonylphenyl)-6-methylpurin-2-yl]amino]benzoate Traditional Name: 4-[[9-(4-carbethoxyphenyl)-6-methyl-purin-2-yl]amino]benzoic acid ethyl ester Formula: C24H23N5O4 MolecularWeight: 445.47052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=C3C(=N2)N(C=N3)C4=CC=C(C=C4)C(=O)OCC)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=C3C(=N2)N(C=N3)C4=CC=C(C=C4)C(=O)OCC)C

InChI

InChI=1S/C24H23N5O4/c1-4-32-22(30)16-6-10-18(11-7-16)27-24-26-15(3)20-21(28-24)29(14-25-20)19-12-8-17(9-13-19)23(31)33-5-2/h6-14H,4-5H2,1-3H3,(H,26,27,28)