ethyl 4-(7H-purin-6-ylamino)benzoate

Systemtic Name: ethyl 4-(7H-purin-6-ylamino)benzoate Openeye Name: ethyl 4-(7H-purin-6-ylamino)benzoate CAS Name: 4-(7H-purin-6-ylamino)benzoic acid ethyl ester IUPAC Name: ethyl 4-(7H-purin-6-ylamino)benzoate Traditional Name: 4-(7H-purin-6-ylamino)benzoic acid ethyl ester Formula: C14H13N5O2 MolecularWeight: 283.28532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N5O2/c1-2-21-14(20)9-3-5-10(6-4-9)19-13-11-12(16-7-15-11)17-8-18-13/h3-8H,2H2,1H3,(H2,15,16,17,18,19)