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

Systemtic Name: ethyl 4-[[2-[(3-aminophenyl)amino]-7H-purin-6-yl]amino]benzoate Openeye Name: ethyl 4-[[2-(3-aminoanilino)-7H-purin-6-yl]amino]benzoate CAS Name: 4-[[2-(3-aminoanilino)-7H-purin-6-yl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3-aminoanilino)-7H-purin-6-yl]amino]benzoate Traditional Name: 4-[[2-(3-aminoanilino)-7H-purin-6-yl]amino]benzoic acid ethyl ester Formula: C20H19N7O2 MolecularWeight: 389.41056

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C20H19N7O2/c1-2-29-19(28)12-6-8-14(9-7-12)24-18-16-17(23-11-22-16)26-20(27-18)25-15-5-3-4-13(21)10-15/h3-11H,2,21H2,1H3,(H3,22,23,24,25,26,27)