3-(6-azanyl-8-phenylsulfanyl-purin-9-yl)propyl ethanoate

Systemtic Name: 3-(6-azanyl-8-phenylsulfanyl-purin-9-yl)propyl ethanoate Openeye Name: 3-(6-amino-8-phenylsulfanyl-purin-9-yl)propyl acetate CAS Name: acetic acid 3-[6-amino-8-(phenylthio)-9-purinyl]propyl ester IUPAC Name: 3-(6-amino-8-phenylsulfanylpurin-9-yl)propyl acetate Traditional Name: acetic acid 3-[6-amino-8-(phenylthio)purin-9-yl]propyl ester Formula: C16H17N5O2S MolecularWeight: 343.40348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O2S/c1-11(22)23-9-5-8-21-15-13(14(17)18-10-19-15)20-16(21)24-12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3,(H2,17,18,19)