3-[6-azanyl-8-(4-bromophenyl)sulfanyl-purin-9-yl]propyl ethanoate

Systemtic Name: 3-[6-azanyl-8-(4-bromophenyl)sulfanyl-purin-9-yl]propyl ethanoate Openeye Name: 3-[6-amino-8-(4-bromophenyl)sulfanyl-purin-9-yl]propyl acetate CAS Name: acetic acid 3-[6-amino-8-[(4-bromophenyl)thio]-9-purinyl]propyl ester IUPAC Name: 3-[6-amino-8-(4-bromophenyl)sulfanylpurin-9-yl]propyl acetate Traditional Name: acetic acid 3-[6-amino-8-[(4-bromophenyl)thio]purin-9-yl]propyl ester Formula: C16H16BrN5O2S MolecularWeight: 422.29954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrN5O2S/c1-10(23)24-8-2-7-22-15-13(14(18)19-9-20-15)21-16(22)25-12-5-3-11(17)4-6-12/h3-6,9H,2,7-8H2,1H3,(H2,18,19,20)