3-[6-azanyl-8-[2,4-bis(fluoranyl)phenyl]sulfanyl-purin-9-yl]propyl ethanoate

Systemtic Name: 3-[6-azanyl-8-[2,4-bis(fluoranyl)phenyl]sulfanyl-purin-9-yl]propyl ethanoate Openeye Name: 3-[6-amino-8-(2,4-difluorophenyl)sulfanyl-purin-9-yl]propyl acetate CAS Name: acetic acid 3-[6-amino-8-[(2,4-difluorophenyl)thio]-9-purinyl]propyl ester IUPAC Name: 3-[6-amino-8-(2,4-difluorophenyl)sulfanylpurin-9-yl]propyl acetate Traditional Name: acetic acid 3-[6-amino-8-[(2,4-difluorophenyl)thio]purin-9-yl]propyl ester Formula: C16H15F2N5O2S MolecularWeight: 379.384406

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCN1C2=C(C(=NC=N2)N)N=C1SC3=C(C=C(C=C3)F)F

Isomeric SMILES

CC(=O)OCCCN1C2=C(C(=NC=N2)N)N=C1SC3=C(C=C(C=C3)F)F

InChI

InChI=1S/C16H15F2N5O2S/c1-9(24)25-6-2-5-23-15-13(14(19)20-8-21-15)22-16(23)26-12-4-3-10(17)7-11(12)18/h3-4,7-8H,2,5-6H2,1H3,(H2,19,20,21)