ethyl 4-[[9-(4-ethoxycarbonylphenyl)-6,8-dimethyl-purin-2-yl]amino]benzoate

Systemtic Name: ethyl 4-[[9-(4-ethoxycarbonylphenyl)-6,8-dimethyl-purin-2-yl]amino]benzoate Openeye Name: ethyl 4-[[9-(4-ethoxycarbonylphenyl)-6,8-dimethyl-purin-2-yl]amino]benzoate CAS Name: 4-[[9-(4-ethoxycarbonylphenyl)-6,8-dimethyl-2-purinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[9-(4-ethoxycarbonylphenyl)-6,8-dimethylpurin-2-yl]amino]benzoate Traditional Name: 4-[[9-(4-carbethoxyphenyl)-6,8-dimethyl-purin-2-yl]amino]benzoic acid ethyl ester Formula: C25H25N5O4 MolecularWeight: 459.4971

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H25N5O4/c1-5-33-23(31)17-7-11-19(12-8-17)28-25-26-15(3)21-22(29-25)30(16(4)27-21)20-13-9-18(10-14-20)24(32)34-6-2/h7-14H,5-6H2,1-4H3,(H,26,28,29)