ethyl 3-[[6-[(4-ethoxycarbonylphenyl)amino]-7H-purin-2-yl]amino]benzoate

Systemtic Name: ethyl 3-[[6-[(4-ethoxycarbonylphenyl)amino]-7H-purin-2-yl]amino]benzoate Openeye Name: ethyl 3-[[6-(4-ethoxycarbonylanilino)-7H-purin-2-yl]amino]benzoate CAS Name: 3-[[6-(4-ethoxycarbonylanilino)-7H-purin-2-yl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[6-(4-ethoxycarbonylanilino)-7H-purin-2-yl]amino]benzoate Traditional Name: 3-[[6-(4-carbethoxyanilino)-7H-purin-2-yl]amino]benzoic acid ethyl ester Formula: C23H22N6O4 MolecularWeight: 446.45858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC3=C2NC=N3)NC4=CC=CC(=C4)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC3=C2NC=N3)NC4=CC=CC(=C4)C(=O)OCC

InChI

InChI=1S/C23H22N6O4/c1-3-32-21(30)14-8-10-16(11-9-14)26-20-18-19(25-13-24-18)28-23(29-20)27-17-7-5-6-15(12-17)22(31)33-4-2/h5-13H,3-4H2,1-2H3,(H3,24,25,26,27,28,29)