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

Systemtic Name: butyl 4-(7H-purin-6-ylamino)benzoate Openeye Name: butyl 4-(7H-purin-6-ylamino)benzoate CAS Name: 4-(7H-purin-6-ylamino)benzoic acid butyl ester IUPAC Name: butyl 4-(7H-purin-6-ylamino)benzoate Traditional Name: 4-(7H-purin-6-ylamino)benzoic acid butyl ester Formula: C16H17N5O2 MolecularWeight: 311.33848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O2/c1-2-3-8-23-16(22)11-4-6-12(7-5-11)21-15-13-14(18-9-17-13)19-10-20-15/h4-7,9-10H,2-3,8H2,1H3,(H2,17,18,19,20,21)