ethyl 4-[[2-[[2-(dimethylamino)phenyl]amino]-7H-purin-6-yl]amino]benzoate

Systemtic Name: ethyl 4-[[2-[[2-(dimethylamino)phenyl]amino]-7H-purin-6-yl]amino]benzoate Openeye Name: ethyl 4-[[2-[2-(dimethylamino)anilino]-7H-purin-6-yl]amino]benzoate CAS Name: 4-[[2-[2-(dimethylamino)anilino]-7H-purin-6-yl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[2-(dimethylamino)anilino]-7H-purin-6-yl]amino]benzoate Traditional Name: 4-[[2-[2-(dimethylamino)anilino]-7H-purin-6-yl]amino]benzoic acid ethyl ester Formula: C22H23N7O2 MolecularWeight: 417.46372

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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=C4N(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC3=C2NC=N3)NC4=CC=CC=C4N(C)C

InChI

InChI=1S/C22H23N7O2/c1-4-31-21(30)14-9-11-15(12-10-14)25-20-18-19(24-13-23-18)27-22(28-20)26-16-7-5-6-8-17(16)29(2)3/h5-13H,4H2,1-3H3,(H3,23,24,25,26,27,28)