ethyl 4-[[9-(4-ethoxycarbonylphenyl)-6-methyl-8-sulfanylidene-7H-purin-2-yl]amino]benzoate

Systemtic Name: ethyl 4-[[9-(4-ethoxycarbonylphenyl)-6-methyl-8-sulfanylidene-7H-purin-2-yl]amino]benzoate Openeye Name: ethyl 4-[[9-(4-ethoxycarbonylphenyl)-6-methyl-8-thioxo-7H-purin-2-yl]amino]benzoate CAS Name: 4-[[9-(4-ethoxycarbonylphenyl)-6-methyl-8-sulfanylidene-7H-purin-2-yl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[9-(4-ethoxycarbonylphenyl)-6-methyl-8-sulfanylidene-7H-purin-2-yl]amino]benzoate Traditional Name: 4-[[9-(4-carbethoxyphenyl)-6-methyl-8-thioxo-7H-purin-2-yl]amino]benzoic acid ethyl ester Formula: C24H23N5O4S MolecularWeight: 477.53552

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C24H23N5O4S/c1-4-32-21(30)15-6-10-17(11-7-15)26-23-25-14(3)19-20(28-23)29(24(34)27-19)18-12-8-16(9-13-18)22(31)33-5-2/h6-13H,4-5H2,1-3H3,(H,27,34)(H,25,26,28)