butyl 4-[(2-chloranyl-7H-purin-6-yl)amino]benzoate

Systemtic Name: butyl 4-[(2-chloranyl-7H-purin-6-yl)amino]benzoate Openeye Name: butyl 4-[(2-chloro-7H-purin-6-yl)amino]benzoate CAS Name: 4-[(2-chloro-7H-purin-6-yl)amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(2-chloro-7H-purin-6-yl)amino]benzoate Traditional Name: 4-[(2-chloro-7H-purin-6-yl)amino]benzoic acid butyl ester Formula: C16H16ClN5O2 MolecularWeight: 345.78354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN5O2/c1-2-3-8-24-15(23)10-4-6-11(7-5-10)20-14-12-13(19-9-18-12)21-16(17)22-14/h4-7,9H,2-3,8H2,1H3,(H2,18,19,20,21,22)