ethyl 4-[[2,6-bis(azanyl)-5H-purin-8-yl]methylamino]benzoate

Systemtic Name: ethyl 4-[[2,6-bis(azanyl)-5H-purin-8-yl]methylamino]benzoate Openeye Name: ethyl 4-[(2,6-diamino-5H-purin-8-yl)methylamino]benzoate CAS Name: 4-[(2,6-diamino-5H-purin-8-yl)methylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2,6-diamino-5H-purin-8-yl)methylamino]benzoate Traditional Name: 4-[(2,6-diamino-5H-purin-8-yl)methylamino]benzoic acid ethyl ester Formula: C15H17N7O2 MolecularWeight: 327.34118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NCC2=NC3C(=NC(=NC3=N2)N)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NCC2=NC3C(=NC(=NC3=N2)N)N

InChI

InChI=1S/C15H17N7O2/c1-2-24-14(23)8-3-5-9(6-4-8)18-7-10-19-11-12(16)21-15(17)22-13(11)20-10/h3-6,11,18H,2,7H2,1H3,(H4,16,17,19,20,21,22)